Theophylline anhydrous
Theophylline
CAS: 58-55-9
Molecular Formula: C7H8N4O2
Theophylline anhydrous - Names and Identifiers
| Name | Theophylline |
| Synonyms | accurbron Theophylline Acet-theocin dimethylxanthine 1,3-dimethyl-xanthin Theophylline anhydrous 3h)-dione,1,3-dimethyl-purine-6(1h 3,7-dihydro-1,3-dimethyl-1h-purine-6-dione 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione 6-dione,3,7-dihydro-1,3-dimethyl-1H-Purine-2 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl- 1,3-dimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione |
| CAS | 58-55-9 |
| EINECS | 200-385-7 |
| InChI | InChI=1/C7H10N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3-5H,1-2H3,(H,8,9) |
| InChIKey | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
Theophylline anhydrous - Physico-chemical Properties
| Molecular Formula | C7H8N4O2 |
| Molar Mass | 180.16 |
| Density | 1.3640 (rough estimate) |
| Melting Point | 271-273°C |
| Boling Point | 312.97°C (rough estimate) |
| Flash Point | 11°C |
| Water Solubility | 8.3 g/L (20 ºC) |
| Solubility | Soluble in water, ethanol, chloroform, soluble in alkali, ammonia and dilute acid, insoluble in ether. |
| Vapor Presure | 2.72E-06mmHg at 25°C |
| Appearance | White to off-white crystalline powder |
| Color | white |
| Merck | 14,9285 |
| BRN | 13463 |
| pKa | 8.77(at 25℃) |
| Storage Condition | 2-8°C |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Sensitive | Sensitive to air |
| Refractive Index | 1.6700 (estimate) |
| MDL | MFCD00079619 |
| Physical and Chemical Properties | White Crystal or crystalline powder, odorless, bitter taste. Mp270-274. It is soluble in water (1:120), ethanol (1:18), chloroform (1:86), alkali hydroxide, ammonia, dilute hydrochloric acid and dilute nitric acid at room temperature, slightly soluble in ether. Moderate toxicity, LD50 (rat, oral) 300mg/kg. |
| Use | Mainly used for the treatment of bronchial and cardiac asthma, can also be used for cardiac edema |
Theophylline anhydrous - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S7 - Keep container tightly closed. S16 - Keep away from sources of ignition. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | XH3850000 |
| FLUKA BRAND F CODES | 10-23 |
| TSCA | Yes |
| HS Code | 29395900 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
| Toxicity | LD50 oral in rabbit: 350mg/kg |
Theophylline anhydrous - Reference
| Reference Show more | 1. Dong Yanru, Cao Yanyan, Lu Jiachun, Mei Sifan, he run, Chen Ping. Crystallographic study of catechin-caffeine complex [J]. Tea Science, 2021,41(01):80-89. 2. Li Chenghao, Wang Meng, Ren Xiaoliang. Solubilization and mechanism of sulfonated calix6-arene on four kinds of traditional Chinese medicine monomer components [J]. Modern Chinese medicine, 2020,22(12):2032-2038. 3. [IF = 4.464] Yu Jun Yang et al."The electropolymerization of CTAB on glass carbon electrode for simultaneous determination of dopamine, uric acid, tryptophan and theophyline." J Electroanal Chem. 2016 May;768:102 4. [IF = 4.098] Chunlin Li et al."Rapid and non-destructive pathology of special-grade flat green tea using Near-infra." Spectrochim Acta A. Jan 2019; 206:254 5. [IF = 3.935] Yi Tao et al."Towards the identification of alkaline phosphatase binding ligands in Li-Dan-Hua-Shi pills: A Box-Behnken design optimized affinity selection approach tandem with UHPLC-Q-TOF/MS analysis."J Pharmaceut Biomed. 2018 May;154:486 6. [IF=3.894] Lixia Liu et al."Protective effects of tea polyphenols on exhaustive exercise-induced fatigue, inflammation and tissue damage."Food Nutr Res. 2017;61(1):1333390 7. [IF=4.411] Tao Tian et al."Personal Glucose Meter for α-Glucosidase Inhibitor Screening Based on the Hydrolysis of Maltose."Molecules. 2021 Jan;26(15):4638 8. [IF=4.142] Zhang Hao et al."A portable personal glucose meter method for enzyme activity detection and inhibitory activity evaluation based on alkaline phosphatase-mediated reaction."Anal Bioanal Chem. 2021 Apr;413(9):2457-2466 9. [IF=4.098] Chunlin Li et al."Discrimination of white teas produced from fresh leaves with different maturity by near-infrared spectroscopy."Spectrochim Acta A. 2020 Feb;227:117697 10. [IF=3.535] Hui Jiang et al."Determination of lipid-water partition coefficient of neutral and ionic drugs by liposome electrokinetic chromatography."Electrophoresis. 2021 Aug;42(14-15):1436-1449 11. [IF=3.503] Jiajia Dong et al."Comparative pharmacokinetic analysis of raw and steamed Panax notoginseng roots in rats by UPLC-MS/MS for simultaneously quantifying seven saponins."Pharm Biol. 2021;59(1):653-661 12. [IF=3] Qu Lala et al."Phenotypic assessment and ligand screening of ETA/ETB receptors with label-free dynamic mass redistribution assay."N-S Arch Pharmacol. 2020 Jun;393(6):937-950 13. [IF=3.981] Lin Wang et al."Drug-drug cocrystals of theophylline with quercetin."J Drug Deliv Sci Tec. 2022 Apr;70:103228 14. [IF=3.935] Hui Jiang et al."Preparation of covalently bonded liposome capillary column and its application in evaluation of drug membrane permeability."J Pharmaceut Biomed. 2022 Feb;209:114513 15. [IF=4.072] Meng-zhen Zhou et al."Discovery and Biochemical Characterization of N-methyltransferase Genes Involved in Purine Alkaloid Biosynthetic Pathway of Camellia gymnogyna Hung T.Chang (Theaceae) from Dayao Mountain."Phytochemistry. 2022 Jul;199:113167 |
Theophylline anhydrous - Standard
Authoritative Data Verified Data
This product is 1, 3-dimethyl-3, 7-dihydro-1h-purine-2, 6-dione monohydrate or anhydrous. Calculated as dry, containing no less than 99.0% anhydrous theophylline (C7H8N4O2).
Last Update：2024-01-02 23:10:35
Theophylline anhydrous - Trait
Authoritative Data Verified Data
- This product is white crystalline powder; Odorless.
- This product is slightly soluble in ethanol or chloroform, very slightly soluble in water, almost insoluble in ether; Soluble in potassium hydroxide solution or ammonia solution.
Last Update：2022-01-01 13:38:38
Theophylline anhydrous - Differential diagnosis
Authoritative Data Verified Data
- take about 10 mg of this product, add 1 ml of hydrochloric acid and 0.lg of potassium chlorate, and steam dry on a water bath, leaving light red residue, which will turn purple when ammonia is encountered. Add several drops of sodium hydroxide test solution, and the purple color will disappear.
- take about 50mg of this product, add 1 ml of sodium hydroxide solution to dissolve, add 3ml of nitrogen benzene sulfonic acid solution, should be red.
- take about 10mg of this product, add 5ml of water to dissolve, add 3ml of ammonia-ammonium chloride buffer (pH 8.0), and then add 1 ml of copper pyridine test solution. After shaking, add 5ml of chloroform and shake, the chloroform layer was green.
- The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 272).
Last Update：2022-01-01 13:38:39
Theophylline anhydrous - Exam
Authoritative Data Verified Data
acidity
take 0.10g of this product, dissolve 25ml of heated water, add 1 drop of Methyl red indicator solution and 0.02 ml of sodium hydroxide titration solution (0.20 mol/L), which should be yellow.
Related substances
take this product, add mobile phase to dissolve and dilute to make a solution containing 2mg per 1 ml as a test solution; Take appropriate amount of precision, A solution containing 10ug per lml was prepared by quantitative dilution with mobile phase as a control solution. An appropriate amount of theophylline and theobromine was separately taken, and the mobile phase was added to dissolve and dilute to prepare a solution containing 10ug per lml, as a system suitability solution. According to the test of high performance liquid chromatography (General rule 0512), silica gel bonded with eighteen alkyl silane was used as the filler; Acetate buffer solution (1.36g of sodium acetate was taken, of water was added to dissolve, and 5ml of glacial acetic acid was added, then diluted to 1000ml with water, and the mobile phase was acetonitrile (93:7). The detection wavelength was 271nm. The applicable solution 20 u1 of the system is injected into the liquid chromatograph, and the chromatogram is recorded. The number of theoretical plates is not less than 5000 calculated by theophylline peak, and the separation degree between theobromine peak and theophylline peak should be greater than 2.0. 20 u1 of the test solution and the control solution were respectively injected into the human liquid chromatograph, and the chromatogram was recorded to 3 times of the retention time of the main component peak. If there are impurity peaks in the chromatogram of the test solution, the area of a single impurity peak shall not be greater than 0.2 times (0.1%) of the area of the main peak of the control solution, the sum of each impurity peak area shall not be greater than the main peak area of the control solution (0.5%).
loss on drying
take this product, dry to constant weight at 105°C, weight loss shall not exceed 9.5%; For anhydrous theophylline, weight loss shall not exceed 0.5% (General rule 0831).
ignition residue
not more than 0.1% (General rule 0841).
Last Update：2022-01-01 13:38:40
Theophylline anhydrous - Content determination
Authoritative Data Verified Data
take this product about 0.3g, precision weighing, add water 50ml, slightly dissolve, cool, add silver nitrate titration solution (0.lmol/L)25ml, plus bromothymol blue indicator solution 1ml, shake, with sodium hydroxide titration solution (0.1 mol/L) titration to a blue color of the solution. Each 1ml of sodium hydroxide titration solution (0.1 mol/L) corresponds to 18.02mg of C7H8N402.
Last Update：2022-01-01 13:38:41
Theophylline anhydrous - Category
Authoritative Data Verified Data
smooth muscle relaxant.
Last Update：2022-01-01 13:38:41
Theophylline anhydrous - Storage
Authoritative Data Verified Data
sealed storage.
Last Update：2022-01-01 13:38:41
Theophylline anhydrous - Theophylline Sustained—release Tablets
Authoritative Data Verified Data
This product contains alkali in anhydrous theophylline (C7H8N402) should be calculated as 90.0% ~ 110.0% of the labeled amount.
trait
This product is white tablet.
identification
take an appropriate amount of fine powder of this product (about 0.2g equivalent to anhydrous theophylline), heat 10ml of water, shake, filter, evaporate the filtrate to dryness, and identify the residue under theophylline (1) (2), (3) test, show the same reaction.
examination
- relevant substances: take an appropriate amount of fine powder of this product, dissolve it with mobile phase and dilute it to make a solution containing about 2mg of anhydrous theophylline per 1ml, filter it, and take the continued filtrate as the test solution; take 1ml of precision, 200ml flask, diluted with mobile phase to the scale, shake, as a control solution. If there are impurity peaks in the chromatogram of the test solution, the sum of each impurity peak area shall not be greater than the main peak area of the control solution (0.5%), as determined by the method under theophylline related substances.
- the dissolution of this product, according to the dissolution and release determination method (General rule 0931 second method), water 900ml as the dissolution medium, the speed of 50 rpm, according to the law, at 2 hours, 6 hours and 12 hours, respectively, take 5ml of the solution for filtration, and immediately supplement the dissolution medium with the same temperature and the same volume; Take the appropriate amount of the filtrate with precision, the solution containing anhydrous theophylline in about 7 WDS per 1 ml was prepared by quantitative dilution with water, and the absorbance was measured at the wavelength of 272mn respectively by ultraviolet-visible spectrophotometry (General rule 0401); separately take the appropriate amount of theophylline reference substance, precisely weigh, add water to dissolve and quantitatively dilute to make a solution containing anhydrous theophylline 7 beer per 1 ml, and determine the absorbance by the same method, the dissolution of each tablet at different time points was calculated separately. The dissolution amount of each tablet in 2 hours, 6 hours and 12 hours shall be 20% ~ 40%, 40% ~ 65% and more than 70% of the label amount, and shall be in accordance with the regulations.
- others shall be in accordance with the relevant provisions under the item of tablets (General rule 0101).
Content determination
Take 20 tablets of this product, precision weighing, fine grinding, precision weighing appropriate amount (about 0.3g equivalent to anhydrous alkali), put it in a mortar, heated water 50ml, and quantitative into the conical flask, after cooling, add silver nitrate titration solution (0.lmol/L)25ml, 8 drops of sodium alizarin sulfonate indicator, mix well, quickly with sodium hydroxide titration solution (0.1 mol/L) titration to solution microscopic red. Each 1 ml of sodium hydroxide titration solution (0.1 mol/L) corresponds to 18.02mg of C7H8N402.
category
Same as theophylline.
specification
0.1g (by C7H8N402)
storage
light shielding, sealed storage.
Last Update：2022-01-01 13:38:42
Theophylline anhydrous - Theophylline sustained-release capsules
Authoritative Data Verified Data
This product contains theophylline by anhydrous theophylline (C7H8N402) should be calculated as the label of 90.0% ~ 110.0%.
trait
The content of this product is white spherical pellets.
identification
- take an appropriate amount of fine powder of the contents of this product (about 0.5g of anhydrous theophylline), heat 15ml of water, shake, filter, evaporate the filtrate to dryness, take about 10mg of the residue, add 5ml of water to dissolve, ammonia-ammonium chloride buffer (pH 8.0)3ml, plus copper pyridine test solution 1ml, after shaking, add chloroform 5ml, shaking, chloroform layer showed Green.
- in the chromatogram recorded under the content determination item, the retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the reference solution.
examination
- the contents under the item of difference in loading amount of related substances are extracted, and the appropriate amount of fine powder (equivalent to 0.lg of anhydrous alkali) is extracted, placed in a 50ml measuring flask, and the appropriate amount of mobile phase is added, dissolve theophylline by ultrasound, dilute to the scale with mobile phase, shake well, filter, and take the filtrate as the test solution. Take 1ml of precision measurement and put it in a 200ml measuring flask, dilute to the scale with the mobile phase, shake, and serve as a control solution. If there are impurity peaks in the chromatogram of the test solution, the sum of each impurity peak area shall not be greater than the main peak area of the control solution (0.5%), as determined by the method under theophylline related substances.
- dissolution: take 0931g of potassium dihydrogen phosphate in phosphate buffer solution (pH3.0) and add water to make it 1000ml according to the method of dissolution and release determination (General rule 6.804), adjust the pH value to 3.0 with phosphoric acid, then obtain) 900ml as dissolution medium, the rotation speed is 50 rpm, operate according to law, after 1, 2 and 3.5 hours, respectively take 10ml solution, filter, and immediately add the same temperature, the same volume of the dissolution medium; Respectively, take the appropriate amount of the continued filtrate, with O. 1 mol/L hydrochloric acid solution was quantitatively diluted to prepare a solution containing about 5-10ug of anhydrous theophylline per 1 ml. Immediately after sampling for 3.5 hours, adjust the pH value of the dissolution medium to 5.3 with 7.4 mol/L sodium hydroxide solution in the operating vessel, continue the test, and after 5 hours, take 10ml of the solution to filter, take appropriate amount of continuous filtrate with O.Olmol/L hydrochloric acid solution was quantitatively diluted to prepare a solution containing about 10 tons of anhydrous theophylline per 1 ml. Take the above solution, according to UV-visible spectrophotometry (General 0401), at the wavelength of 271nm were measured absorbance; in addition, the standard sample of tausine was weighed accurately, about 0.1g, and placed in a 100ml measuring flask, plus 0.lmol/L hydrochloric acid solution (10ml) was dissolved and diluted with water to the scale. Olmol/L hydrochloric acid solution was quantitatively diluted to prepare a solution containing anhydrous theophylline 10ug per 1 ml, and the absorbance was measured by the same method to calculate the dissolution amount of each particle at different times. The dissolution amount of each capsule of this product at 1, 2, 3.5 and 5 hours shall be 13% ~ 38%, 25% ~ 50%, 37% ~ 65% and 85% of the labeled amount respectively, and shall be in accordance with the regulations.
- others should comply with the relevant provisions under the capsule (General 0103).
Content determination
- measured by high performance liquid chromatography (General 0512).
- chromatographic conditions and system applicability test using eighteen alkyl silane bonded silica gel as filler; With acetate buffer solution (sodium acetate 1.36g, add water 100ml to dissolve, add glacial acetic acid 5ml, then dilute to 1000ml with water, shake well)-acetonitrile (93:7) as mobile phase; The detection wavelength was 271nm; Take the appropriate amount of theophylline and theobromine, the mobile phase is added to dissolve and dilute to prepare a mixed solution containing 10ug each in each lml, and 20ul is injected into the liquid chromatograph to record the chromatogram. The number of theoretical plates shall not be less than 5000 based on theophylline peak, and the degree of separation between theobromine peak and theophylline peak shall be greater than 2.0o .
- the content under the item of loading amount difference was measured, and then the appropriate amount (about 0.lg of anhydrous theophylline) was accurately weighed and placed in a 100ml measuring flask, and the appropriate amount of mobile phase was added, dissolve theophylline by ultrasound, dilute to scale with mobile phase, shake well, filter, Take 5ml of continuous filtrate precisely, put it in 50ml measuring flask, dilute to scale with mobile phase, shake well, as a sample solution, 20ul injection liquid chromatograph was used to record the chromatogram. An appropriate amount of theophylline reference substance was used to precisely weigh the solution, and the mobile phase was added to dissolve and quantitatively dilute to make about O per lml. lmg solution, the same method for determination. According to the external standard method to calculate the peak area, that is.
category
tazocine.
specification
(1)0.lg (2)0.2g by C7H8N402
storage
sealed storage.
Last Update：2022-01-01 13:38:43
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