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129-06-6

3-(A-acetonylbenzyl)-4-hydroxycoumarin

CAS: 129-06-6

Molecular Formula: C19H15O4.Na

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129-06-6 - Names and Identifiers

Name 3-(A-acetonylbenzyl)-4-hydroxycoumarin
Synonyms waran
varfine
tintorane
sodiumwarfarin
sodiumcoumadin
Warfarin Sodium
3-(A-acetonylbenzyl)-4-hydroxycoumarin
WARFARIN SODIUM CRYSTALLINE CLATHRATE
3-(ALPHA-ACETONYLBENZYL)-4-HYDROXYCOUMARIN
3-(A-ACETONYLBENZYL)-4-HYDROXYCOUMARIN SODIUM
3-(ALPHA-ACETONYLBENZYL)-4-HYDROXYCOUMARIN SODIUM
CAS 129-06-6
EINECS 204-929-4
InChI InChI=1/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1

129-06-6 - Physico-chemical Properties

Molecular FormulaC19H15O4.Na
Molar Mass330.31
Melting Pointapproximate 161℃
Boling Point515.2°C at 760mmHg
Specific Rotation(α)±0°
Solubility Easily soluble in water and ethanol (96%), soluble in acetone, and easily soluble in dichloromethane.
AppearanceCrystallization
ColorWhite to Almost white
Merck14,10038
PHpH (10g/l, 25℃) : 7.2～8.3
Storage Condition2-8°C
MDLMFCD00083223
UseUsed as an anticoagulant

129-06-6 - Risk and Safety

Hazard SymbolsT+ - Very toxic
Very toxic
Risk CodesR61 - May cause harm to the unborn child
R28 - Very Toxic if swallowed
Safety DescriptionS53 - Avoid exposure - obtain special instructions before use.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37 - Wear suitable protective clothing and gloves.
S28 - After contact with skin, wash immediately with plenty of soap-suds.
UN IDsUN 1544 6.1/PG 2
WGK Germany1
RTECSGN4725000
HS Code29322090
Hazard Class6.1(a)
Packing GroupII
ToxicityLD50 in male rats, female rats, mice, rabbits (mg/kg): 323, 58, 374, ~800 orally (Hagen); also reported as LD50 in male, female rats (mg/kg): 100.3, 8.7 orally (Back)

129-06-6 - Reference

Reference
Show more
1. [IF=4.546] Mina Nan et al."Rapid Determination of Ochratoxin A in Grape and Its Commodities Based on a Label-Free Impedimetric Aptasensor Constructed by Layer-by-Layer Self-Assembly."Toxins. 2019 Feb;11(2):71
2. [IF=4.05] Xue Li et al."Dihydrophenanthrenes from Juncus effusus as Inhibitors of OAT1 and OAT3."J Nat Prod. 2019;82(4):832–839
3. [IF=3.575] Yilin Qiao et al."Biflavonoids from Juniperus oblonga inhibit organic anion transporter 3."Biochem Bioph Res Co. 2019 Feb;509:931
4. [IF=5.221] Jiao Qishu et al."Study on the Interactions Between Caffeoylquinic Acids With Bovine Serum Albumin: Spectroscopy, Antioxidant Activity, LC-MSn, and Molecular Docking Approach."Front Chem. 2019 Dec;0:840

129-06-6 - Standard

Authoritative Data Verified Data

This product is 3-(a-acetonylbenzyl)-4-hydroxycoumarin sodium salt. The content of C19H15Na04 shall be 98.0%-102.0% based on the calculation of water-free and isopropyl alcohol-free.

Last Update：2024-01-02 23:10:35

129-06-6 - Trait

Authoritative Data Verified Data
  • This product is white crystalline powder; Odorless.
  • This product is easily soluble in water, soluble in ethanol, and almost insoluble in chloroform or ether.
Last Update：2022-01-01 11:53:18

129-06-6 - Differential diagnosis

Authoritative Data Verified Data
  1. Take lg of this product, add 10ml of water to dissolve, add 5ml of nitric acid, filter, take the filtrate, add 3 drops of potassium dichromate solution, shake, after a few minutes, the solution shows light green and blue.
  2. 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.
  3. take this product, dissolve with isopropyl alcohol, and evaporate. The infrared absorption spectrum of the residue should be consistent with that of the control (Spectrum set 152).
  4. This product shows the reaction of sodium salt identification (1) (General rule 0301).
Last Update：2022-01-01 11:53:19

129-06-6 - Exam

Authoritative Data Verified Data

alkalinity

take 0.10g of this product, Add 10ml of water to dissolve, and measure according to law (General rule 0631). The pH value should be 7.2~8.3.

clarity of the solution

take 0.50g of this product, Add 10ml of water to dissolve, the solution should be clear; If it is turbid, compared with No. 1 turbidity standard solution (General rule 0902 first method), it should not be more concentrated.

clarity and color of acetone solution

take 0.20g of this product and add 0902 ml of acetone to dissolve, the 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 first method); if the color, according to UV-visible spectrophotometry, according to the law to check (General 0401), at the wavelength of 460nm absorbance measurement, not more than 0.03.

phenol ketone

take this product, add 5% sodium hydroxide solution to make a solution containing 0.125g per lml, according to UV-visible spectrophotometry (General rule 0401), the absorbance was measured at a wavelength of 385nm within 15 minutes and should not exceed 0.30.

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 2UG in 1 ml was prepared as a control solution by quantitative dilution with mobile phase. According to the chromatographic conditions under the content determination item, 20 u1 of each of the test solution and the control solution are accurately measured and injected into the human liquid chromatograph respectively, and 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 area of a single impurity peak shall not be greater than 0.5 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 2.5 times (0.5%) of the main peak area of the control solution.

isopropanol

precision weigh isopropanol about 0.785g, put it in a 100ml measuring flask, dilute it to the scale with water, shake it well, take 5ml, and add internal standard solution (1% propanol solution) 5ml, mixed, as a reference solution. Take another two parts of this product, each about 0.5g, precision weighing, separate into two 10ml measuring bottles, add 5ml internal standard solution to one measuring bottle, add water to dissolve and dilute to the scale, as a test solution containing internal standard substance and no internal standard substance. Take the above solution, according to Gas chromatography (General 0521) test, with 10% white carrier coated with 1500 polyethylene glycol 101 as stationary phase, at the column temperature of 70 deg C, calculate the amount of isopropyl alcohol contained in the test article, should be 7.5% ~ 8.5% (g/g).

moisture

take this product, according to the determination of moisture (General 0832 first method 1), the water content shall not exceed 2.0%.

Last Update：2022-01-01 11:53:20

129-06-6 - 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 a filler; Acetonitrile-water-glacial acetic acid (55:45:1) was used as a mobile phase; The detection wavelength was 282mn. Take warfarin sodium, benzylidene acetone and 4-hydroxycoumarin, add mobile phase to dissolve and dilute to make solutions containing about 50ug in each lml, take 20u1 injection human liquid chromatograph, record chromatogram, the theoretical plate number shall not be less than 2000 according to the calculation of warfarin sodium peak. The separation degree between 4-hydroxycoumarin peak and benzylidene acetone peak shall be greater than 10.0, and the separation degree between benzylidene acetone peak and warfarin sodium peak shall be greater than 5.0.

assay

take this product, precision weighing, adding mobile phase to dissolve and quantitatively dilute to make a solution containing about 50ug per lml, as a test solution, and inject 20u1 into the liquid chromatograph with precision, the chromatogram was recorded. Another reference substance of warfarin sodium was determined by the same method. According to the external standard method to calculate the peak area, that is.

Last Update：2022-01-01 11:53:21

129-06-6 - Category

Authoritative Data Verified Data

anticoagulant.

Last Update：2022-01-01 11:53:21

129-06-6 - Storage

Authoritative Data Verified Data

light shielding, sealed storage.

Last Update：2022-01-01 11:53:21

129-06-6 - Warfarin Sodium Tablets

Authoritative Data Verified Data

This product contains warfarin sodium (C19H15Na04) should be 93.0% to 107.0% of the label amount.

trait

This product is sugar-coated tablet or film-coated tablet, White after removing the coating.

identification

  1. 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.
  2. take an appropriate amount of fine powder of this product (about 0.1g of warfarin sodium), add 30ml of ethanol, shake to dissolve warfarin sodium, filter, evaporate the filtrate, and identify the residue as sodium salt (1) response (General rule 0301).

examination

  • Related substances take fine powder of this product, add appropriate amount of mobile phase, shake to dissolve warfarin sodium and dilute it into a solution containing about 1 mg per 1ml, filter it, and take the continued filtrate as the test solution; take 1ml accurately, put it in a 200ml measuring flask, dilute it to scale with mobile phase, shake it, and use it as a control solution. Take an appropriate amount of dextrin and add the mobile phase to make a solution containing about 6mg per lml, and filter it, the continued filtrate was taken as an auxiliary solution. According to the chromatographic conditions under the content determination item, 20 u1 of the test solution, the control solution and the auxiliary material solution were accurately taken and injected into the human liquid chromatograph respectively, the chromatogram was recorded to 5 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 2 times (1.0%) of the main peak area of the control solution except for the auxiliary peak.
  • Content uniformity take 1 tablet of this product, put it in 50ml measuring flask (2.5mg specification) or 100ml measuring flask (5mg specification), add appropriate amount of mobile phase, shake to dissolve warfarin sodium, dilute with mobile phase to the scale, shake, filter, take and continue filtrate content determination method under the item of content determination, should comply with the provisions (General 0941).
  • dissolution the dissolution of this product was determined according to the dissolution and release determination method (General rule 0931, the first method), and the phosphate buffer (pH 6.8) was used as the dissolution medium, and the rotation speed was 100 rpm, operate according to law, after 45 minutes, take about 10ml of solution, filter, according to the chromatographic conditions under the item of content determination, accurately take 20u1 filtrate and inject it into human liquid chromatograph, record the chromatogram; take another warfarin sodium reference substance, precisely weigh, add phosphate buffer (pH 6.8) to dissolve and quantitatively dilute to make a solution containing about 5ug(2.5mg specification) or 10ug(5mg specification) per 1 ml, in the same method, the dissolution amount of each tablet was calculated by the peak area according to the external standard method. The limit is 70% of the labeled amount and shall be in accordance with the provisions.
  • 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, precise weighing, fine grinding, precise weighing appropriate amount (about 5mg equivalent to warfarin sodium), put it in a 100ml measuring flask, add appropriate amount of mobile phase, shake to dissolve warfarin sodium, dilute to the scale with mobile phase, shake, filter, take the continued filtrate as a test solution, take 20 u1 with precision, and measure according to the method under the content determination of warfarin sodium.

category

with warfarin sodium.

specification

(1)2.5m g (2)5mg

storage

light shielding, sealed storage.

Last Update：2022-01-01 11:53:22
129-06-6
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Hefei TNJ Chemical Industry Co.,Ltd.
Product Name: 3-(A-acetonylbenzyl)-4-hydroxycoumarin Request for quotation
CAS: 129-06-6
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Shanghai Yuanye Bio-Technology Co., Ltd.
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Product Name: Warfarin Sodium Visit Supplier Webpage Request for quotation
CAS: 129-06-6
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Wechat: 18301782025
Hefei TNJ Chemical Industry Co.,Ltd.
Product Name: 3-(A-acetonylbenzyl)-4-hydroxycoumarin Request for quotation
CAS: 129-06-6
Tel: 0086-551-65418684
Email: sales@tnjchem.com
　　　　 info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840 Click to send a QQ message
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
Shanghai Yuanye Bio-Technology Co., Ltd.
Multiple SpecificationsSpot supply
Product Name: Warfarin Sodium Visit Supplier Webpage Request for quotation
CAS: 129-06-6
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409 Click to send a QQ message
Wechat: 18301782025
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129-06-6
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