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Substance Name: Warfarin acetate
RN: 5979-00-0
InChIKey: AZJMOTKZYSVMRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-O5

Molecular Weight

  • 350.3682
 
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Names and Synonyms

Results Name

  • Warfarin acetate

Synonyms

  • 4-(Acetyloxy)-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
  • 4-Acetoxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
  • Warfarin acetate

Systematic Names

  • 2H-1-Benzopyran-2-one, 4-(acetyloxy)-3-(3-oxo-1-phenylbutyl)-
  • Coumarin, 3-(alpha-acetonylbenzyl)-4-hydroxy-, acetate (8CI)

Registry Numbers

CAS Registry Number

  • 5979-00-0

System Generated Number

  • 0005979000

Structure Descriptors

InChI

1S/C21H18O5/c1-13(22)12-17(15-8-4-3-5-9-15)19-20(25-14(2)23)16-10-6-7-11-18(16)26-21(19)24/h3-11,17H,12H2,1-2H3

InChIKey

AZJMOTKZYSVMRV-UHFFFAOYSA-N

Smiles

c1(C(c2ccccc2)CC(=O)C)c(c2c(oc1=O)cccc2)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1480mg/kg (1480mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.
mouse LD50 oral > 5gm/kg (5000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.