3-(A-acetonylbenzyl)-4-hydroxycoumarin (CAS 129-06-6) — formula C19H15O4.Na, molecular weight 330.3; category organic chemicals.
Documented applications: Uses: Warfarin is an anticoagulant drug and rodenticide derived from coumarin. As a drug it is used for the treatment of retinal vascular occlusion, pulmonary embolism, cardiomyopathy, atrial fibrillation and flutter, cerebral embolism, transient cerebral ischaemia, arterial embolism and thrombosis. (A308), General Manufacturing Information: 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt (1:1): ACTIVE.
3-(A-acetonylbenzyl)-4-hydroxycoumarin is a carbon-based organic compound with CAS registry number 129-06-6 and molecular formula C19H15O4.Na (molecular weight 330.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 129-06-6
Its molecular formula C19H15O4.Na comprises 19 C, 15 H, 4 O, 1 Na atoms.
Also known as: 3-(A-acetonylbenzyl)-4-hydroxycoumarin · Warfarin sodium
Category: organic chemicals
The CAS registry number of 3-(A-acetonylbenzyl)-4-hydroxycoumarin is 129-06-6.
Molecular formula C19H15O4.Na, molecular weight 330.3.
It is also registered under: 3-(A-acetonylbenzyl)-4-hydroxycoumarin, Warfarin sodium.
Recorded applications: Uses: Warfarin is an anticoagulant drug and rodenticide derived from coumarin. As a drug it is used for the treatment of retinal vascular occlusion, pulmonary embolism, cardiomyopathy, atrial fibrillation and flutter, cerebral embolism, transient cerebral ischaemia, arterial embolism and thrombosis. (A308), General Manufacturing Information: 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt (1:1): ACTIVE.
Category: Organic Chemicals.
Public-database records for 3-(A-acetonylbenzyl)-4-hydroxycoumarin (CAS 129-06-6), reproduced here for independent cross-checking.
| Reported hazard statements | H300 (99.1%), H310 (49.1%), H330 (49.1%), H360 (100%), H372 (49.1%) |
|---|
H300 (99.1%): Fatal if swallowed [Danger Acute toxicity, oral]
H310 (49.1%): Fatal in contact with skin [Danger Acute toxicity, dermal]
| 蒸气压 | 0.00001 [mm Hg] @25 °C |
|---|
| CAS Registry Number | 129-06-6 |
|---|---|
| PubChem CID | 16204922 |
| 分子式 | C19H15O4.Na |
| IUPAC 名称 | sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate |
| UNII(FDA) | 6153CWM0CL |
Warfarin sodium; Sodium warfarin; Aldocumar; Jantoven; Marevan; Athrombin; Prothromadin; Zoocoumarin sodium salt; Tintorane; Warcoumin; Warfilone; Varfine; Warfarin sodium salt; Coumadin sodium; Ratsul soluble; Sodium coumadin
| 分子量 | 330.3 |
|---|---|
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 330.08680324 |
| 单同位素质量 | 330.08680324 |
| 拓扑极性表面积 | 66.4 |
| 重原子数 | 24 |
| 形式电荷 | 0 |
| 复杂度 | 507 |
3-(A-acetonylbenzyl)-4-hydroxycoumarin · CAS 129-06-6 · C19H15O4.Na. UNII 6153CWM0CL. 蒸气压: 0.00001 [mm Hg] @25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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