3-(A-丙酮基苄基)-4-羟基香豆素

Description

3-(A-acetonylbenzyl)-4-hydroxycoumarin · CAS 129-06-6 · C19H15O4.Na. UNII 6153CWM0CL. Vapor Pressure: 0.00001 [mm Hg] @25 °C.

Identification

CAS Registry Number	129-06-6
PubChem CID	16204922
Molecular formula	C19H15O4.Na
IUPAC name	sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
UNII (FDA)	6153CWM0CL

Computed Descriptors

Molecular Weight	330.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	330.08680324
Monoisotopic Mass	330.08680324
Topological Polar Surface Area	66.4
Heavy Atom Count	24
Formal Charge	0
Complexity	507

Physical & Chemical Properties

Vapor Pressure	0.00001 [mm Hg] @25 °C

Physical description & handling notes

• Warfarin sodium is a slightly bitter crystalline powder. An anticoagulant used as a rodenticide. (EPA, 1998)

GHS Hazard Classification

Reported hazard statements	H300 (99.1%), H310 (49.1%), H330 (49.1%), H360 (100%), H372 (49.1%)

Documented 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)
• 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt (1:1): ACTIVE
• Breast Feeding; Lactation; Milk, Human; Anticoagulants
• The lowest reported lethal dose in humans is 6667 ug/kg. (A684)
• Agents that prevent BLOOD CLOTTING.
• Substances used to destroy or inhibit the action of rats, mice, or other rodents.

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of 3-(A-acetonylbenzyl)-4-hydroxycoumarin?

CAS 129-06-6; molecular formula C19H15O4.Na; molecular weight — g/mol.

What other names is 3-(A-acetonylbenzyl)-4-hydroxycoumarin known by?

Warfarin sodium, Sodium warfarin, Aldocumar, Jantoven, Marevan, Athrombin.

Is 3-(A-acetonylbenzyl)-4-hydroxycoumarin classified as hazardous?

Hazard statements reported: H300, H310, H330, H360, H372.

What are the key physical properties of 3-(A-acetonylbenzyl)-4-hydroxycoumarin?

Vapor Pressure: 0.00001 [mm Hg] @25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.