3,5,5-trimethylcyclohexylmandelate
cyclandelate
CAS: 456-59-7
Molecular Formula: C17H24O3
3,5,5-trimethylcyclohexylmandelate - Names and Identifiers
| Name | cyclandelate |
| Synonyms | cyclandelate CYCLANDELATE Arto-espasmol 3,5,5-trimethylcyclohexylmandelate 3,5,5-trimethylcyclohexylamygdalate 3,3,5-trimethylcyclohexyl mandelate Mandelic acid 3,3,5-trimethylcyclohexyl ester 3,3,5-trimethylcyclohexyl hydroxy(phenyl)acetate alpha-hydroxybenzeneaceticacid3,3,5-trimethylcyclohexylester alpha-Hydroxybenzeneacetic acid 3,3,5-trimethylcyclohexyl ester benzeneaceticacid,alpha-hydroxy-,3,3,5-trimethylcyclohexylester Benzeneacetic acid, alpha-hydroxy-, 3,3,5-trimethylcyclohexyl ester |
| CAS | 456-59-7 |
| EINECS | 207-271-6 |
| InChI | InChI=1/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3 |
3,5,5-trimethylcyclohexylmandelate - Physico-chemical Properties
| Molecular Formula | C17H24O3 |
| Molar Mass | 276.37 |
| Density | 1.0535 (rough estimate) |
| Melting Point | 55.0-56.5° |
| Boling Point | bp14 192-194° |
| Flash Point | 150.1°C |
| Water Solubility | Insoluble in water |
| Vapor Presure | 1.86E-06mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Almost white |
| Merck | 14,2704 |
| pKa | 12.13±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5490 (estimate) |
| MDL | MFCD00056623 |
| Use | Suitable for the treatment of cerebral arteriosclerosis, traumatic brain injury and venous embolism |
3,5,5-trimethylcyclohexylmandelate - Risk and Safety
| RTECS | OO8200000 |
| HS Code | 2918191350 |
| Toxicity | LD50 oral in rat: 5gm/kg |
3,5,5-trimethylcyclohexylmandelate - Standard
Authoritative Data Verified Data
This product is 3,3, 5-trimethylcyclohexanol-a-phenyl-a-hydroxyacetate. Calculated as dried product, the content of C17H2403 shall not be less than 98.0%.
Last Update：2024-01-02 23:10:35
3,5,5-trimethylcyclohexylmandelate - Trait
Authoritative Data Verified Data
- This product is white or off-white amorphous powder; There is a very odorous, bitter taste.
- This product is very soluble in ethanol or acetone, and is almost insoluble in water.
melting point
The melting point of this product (General rule 0612) is 50~62°C, and the melting distance is within 7°C.
Last Update：2022-01-01 13:32:27
3,5,5-trimethylcyclohexylmandelate - Differential diagnosis
Authoritative Data Verified Data
- take this product, dissolve and dilute with ethanol to make a solution containing about 0401 mg per lml, and measure by UV-Vis spectrophotometry (general rule), at 252nm, 258nm and 264nm wavelength has the maximum absorption.
- The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 217).
Last Update：2022-01-01 13:32:28
3,5,5-trimethylcyclohexylmandelate - Exam
Authoritative Data Verified Data
acidity
take 1.0g of this product, add 20ml of neutral ethanol (neutral to phenolphthalein indicator solution) to dissolve, add several drops of phenolphthalein indicator solution, and use sodium hydroxide titration solution (O.lmol/L) titration to microscopic red, consumption of sodium hydroxide titration solution (0.lmol/L) not over 0.35.
clarity of ethanol solution
take this product l.Og, add 10ml of ethanol, and the dissolved solution should be clear and colorless; If it is turbid, it should not be more concentrated compared with No. 1 turbidity standard solution (General rule 09 02-method).
Related substances
take this product, add the mobile phase to dissolve and dilute to make a solution containing about 1 mg per 1 ml, as a test solution; Take an appropriate amount of precision, A solution containing about 30% per 1 ml was prepared as a control solution by quantitative dilution with mobile phase. According to the chromatographic conditions under the content determination item, 10 u1 of the test solution and the control solution are accurately taken and injected into the liquid chromatograph. The chromatogram is 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 sum of each impurity peak area shall not be greater than the main peak area of the control solution (3.0%).
residual solvent
take about 0.5g of this product, accurately weigh it, put it in a 20ml headspace bottle, add 10ml of N,N-dimethylformamide to dissolve it, seal it, and use it as a test solution; take an appropriate amount of cyclohexane, precision weighing, with N,N-dimethylformamide quantitative dilution made per lml containing about 0. 19mg of the solution, take 10ml of precision, put in 20ml headspace bottle, sealed, as a reference solution. Test as residual solvent assay (General 0861 second method). 6% cyanopropylphenyl-94% dimethylpolysiloxane (or polar similar) as the fixing liquid; The initial temperature is 40°C, maintained for 5 minutes, and the temperature is raised to 150°C at a rate of 45°C per minute, maintained for 3 minutes; the inlet temperature was 200°C; The detector temperature was 250°C; The headspace bottle equilibrium temperature was 80°C and the equilibrium time was 30 minutes. The test solution and the reference solution were injected by Headspace, and the chromatograms were recorded. According to the external standard method to calculate the peak area, the residual amount of cyclohexane should meet the requirements.
loss on drying
take this product, put it in a phosphorus pentoxide dryer, and dry it under reduced pressure to constant weight. The weight loss shall not exceed 0.5% (General rule 0831).
ignition residue
take l.Og of this product and check it according to law (General rule 0841). The residue left shall not exceed 0.1%.
Heavy metals
The residue left under the item of taking the ignition residue shall not contain more than 20 parts per million of heavy metal when examined by law (General rule 0821, Law II).
Last Update：2022-01-01 13:32:29
3,5,5-trimethylcyclohexylmandelate - Content determination
Authoritative Data Verified Data
measured by high performance liquid chromatography (General 0512).
chromatographic conditions and system suitability test
silica gel bonded with eighteen alkyl silane was used as the filler; Acetonitrile-water (4:1) was used as the mobile phase; The detection wavelength was 228nm. Take the appropriate amount of the reference substance and the dicyclohexyl phthalate, add the appropriate amount of acetonitrile to dissolve, dilute with mobile phase to make the solution containing about 1 mg per 1 ml, and take the appropriate amount of the above two solutions, dilute with mobile phase to make mixed solution containing 0.2mg per 1 mL respectively, take 10 u1, inject human liquid chromatograph, record chromatogram. The number of theoretical plates shall not be less than 3000 based on the calculation of the peak of the cyclic ester, and the separation degree of the peak of the cyclic ester and the peak of the two should be greater than 7.0.
assay
take an appropriate amount of this product, precision weighing, adding mobile phase to dissolve and quantitatively dilute to make a solution containing about 0.2mg per lml, take 10 u1 for precision measurement, inject human liquid chromatograph, record chromatogram; in addition, the same method was used for the determination of the reference substance of the ring. According to the external standard method to calculate the peak area, that is.
Last Update：2022-01-01 13:32:30
3,5,5-trimethylcyclohexylmandelate - Category
Authoritative Data Verified Data
vasodilators.
Last Update：2022-01-01 13:32:30
3,5,5-trimethylcyclohexylmandelate - Storage
Authoritative Data Verified Data
light shielding, sealed storage.
Last Update：2022-01-01 13:32:30
3,5,5-trimethylcyclohexylmandelate - Cyclandelate Capsnles
Authoritative Data Verified Data
This product should contain 90.0% ~ 110.0% of the labeled amount of cyclondalyl ester (C17H2403).
identification
- 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.
- take an appropriate amount of the content of this product (about 25mg equivalent to the content of the cyclic ester), add ethanol to dissolve and dilute the solution containing 0.5mg of cyclic ester per 1 ml, filter, take the filtrate, absorption maxima were determined by UV-Vis spectrophotometry (General 0401) at wavelengths of 252nm, 258nm and 264nm.
examination
- dissolution: according to the dissolution and release determination method (General rule 0931 second method), 0.5% sodium dodecyl sulfate solution is used as the dissolution medium, and the rotation speed is 75 rpm, after 60 minutes, the solution was filtered, and the continued filtrate was taken as the test solution. In addition, about 10mg of the control of the ester of the ester of the ester of the ester of the ester of the ester was placed in a 100ml measuring flask, and 5ml of ethanol was added for dissolution, dilute to the scale with the dissolution medium, shake, as a control solution. Determination according to the method under the content determination item, the dissolution limit of each grain is calculated to be 60% of the labeled amount, and the provisions shall be met.
- others should comply with the relevant provisions under the capsule (General 0103).
Content determination
take the contents under the difference of loading amount, mix them evenly, weigh an appropriate amount (about 0.lg of the same amount as the amount of cyclic tonsillar ester), put it in a 100ml measuring flask, and add an appropriate amount of mobile phase, shake to dissolve and dilute the ester to the scale, shake well, filter, Take 5ml of continuous filtrate, put it in a 25ml measuring flask, dilute to the scale with mobile phase, shake well, as a test solution. According to the method under the determination of the content of the cyclic ester Ester, it is obtained.
category storage
The same as the ester.
specification
O.lg
Last Update：2022-01-01 13:32:31
3,5,5-trimethylcyclohexylmandelate - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | cyclomentyl ester (cyclandelate), also known as anmai sheng and antithrombotic pills, has a chemical name of 3,3, 5-trimethylcyclohexanol-dl-mandelate, which is an excellent vasodilator developed by Elan Company in Ireland. Cyclotonsil is used to treat cardiovascular and cerebrovascular diseases such as hypertension and peripheral vascular disorders of the limbs. It can activate the nerves and reduce blood coagulation. It is currently one of the commonly used medicines in clinical practice. |
| Pharmacology and toxicology | The structure is similar to papaverine. Single or continuous administration can increase blood flow in brain, heart, kidney and limbs. It can directly relax vascular smooth muscle to dilate blood vessels, and has a selective and continuous expansion effect on the brain, kidney, blood vessels and coronary arteries, thereby increasing blood flow. The effect is weaker and longer-lasting than papaverine. This product can still promote collateral circulation. It has little effect on respiration, heart rate, cardiac output, myocardial oxygen consumption, blood pressure, etc. |
| pharmacokinetics | oral absorption is fast and complete, it takes effect in 10-15 minutes, the blood concentration peaks in 1.5 hours, and it can be maintained for 4-6 hours. Most of them are excreted in urine and about 5% from feces. |
| Indications | Used for ischemic cerebrovascular diseases, cerebral arteriosclerosis, brain trauma sequelae, acral arterial spasm, hand-foot cyanosis, obliterative endarteritis, inner ear vertigo, etc. |
| adverse reactions | can cause nausea, vomiting, loss of appetite, upper abdominal discomfort, sometimes facial flushing, dizziness, headache, rash, pruritus, dry mouth, palpitations, hypotension, numbness, tremor, tachycardia, sweating, etc. |
| taboo | severe acute phase of cerebrovascular accident, pregnant women and lactating women are prohibited. patients with severe occlusive coronary artery and cerebrovascular diseases, glaucoma, hemorrhage or bleeding tendency should be used with caution. |
| use | suitable for cerebral arteriosclerosis, cerebral strain, cerebral trauma and venous embolism. suitable for the treatment of cerebral arteriosclerosis, brain injury and venous embolism |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:08
Supplier List
Product Name: Cyclandelate Visit Supplier Webpage Request for quotation
CAS: 456-59-7
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
CAS: 456-59-7
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
Product Name: Cyclandelate Visit Supplier Webpage Request for quotation
CAS: 456-59-7
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
CAS: 456-59-7
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
View History