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Substance Name: Clocoumarol [INN]
RN: 35838-63-2
UNII: M9K14Z7S3L
InChIKey: XEBSDNCEYSPGIU-UHFFFAOYSA-N

Note

  • Potent vitamin K-like anticoagulant.

Classification Codes

  • Anticoagulants
  • Hematologic Agents

Molecular Formula

  • C21-H21-Cl-O3

Molecular Weight

  • 356.8469
 
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Names and Synonyms

Name of Substance

  • Clocoumarol
  • Clocoumarol [INN]

Synonyms

  • 3-(p-(2-Chloroethyl)-alpha-propylbenzyl)-4-hydroxycoumarin
  • 5-18-02-00358 (Beilstein Handbook Reference)
  • BRN 1264788
  • Clocoumarol
  • Clocoumarolum
  • Clocoumarolum [INN-Latin]
  • Clocumarol
  • Clocumarol [INN-Spanish]
  • Coumarin, 3-(p-(2-chloroethyl)-alpha-propylbenzyl)-4-hydroxy-
  • DB 112
  • EINECS 252-748-4
  • UNII-M9K14Z7S3L

Systematic Names

  • 2H-1-Benzopyran-2-one, 3-(1-(4-(2-chloroethyl)phenyl)butyl)-4-hydroxy-
  • 3-(1-(4-(2-Chloroethyl)phenyl)butyl)-4-hydroxy-2H-1-benzopyran-2-one
  • 3-(p-(2-Chloroethyl)-alpha-propylbenzyl)-4-hydroxycoumarin
  • Clocoumarol

Registry Numbers

CAS Registry Number

  • 35838-63-2

FDA UNII

  • M9K14Z7S3L

System Generated Number

  • 0035838632

Structure Descriptors

InChI

1S/C21H21ClO3/c1-2-5-16(15-10-8-14(9-11-15)12-13-22)19-20(23)17-6-3-4-7-18(17)25-21(19)24/h3-4,6-11,16,23H,2,5,12-13H2,1H3

InChIKey

XEBSDNCEYSPGIU-UHFFFAOYSA-N

Smiles

CCCC(c1ccc(cc1)CCCl)c2c(c3ccccc3oc2=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 18mg/kg (18mg/kg) BLOOD: HEMORRHAGE

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE
Bulletin de la Societe Royale des Sciences de Liege. Vol. 54, Pg. 211, 1985.