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Substance Name: Ethchlorvynol glucuronide
RN: 56050-11-4
InChIKey: QVPCVYXUELXQBC-KHPYKDKZSA-N

Note

  • Major metabolite of ethchlorvynol on acetylenic moiety in rabbit urine.

Molecular Formula

  • C13-H17-Cl-O7

Molecular Weight

  • 320.723
 
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Names and Synonyms

Name of Substance

  • Ethchlorvynol glucuronide

Synonym

  • Ethchlorvynol C-glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 3-chloro-1-ethyl-1-ethynyl-2-propenyl

Registry Numbers

CAS Registry Number

  • 56050-11-4

System Generated Number

  • 0056050114

Structure Descriptors

InChI

1S/C13H17ClO7/c1-3-13(4-2,5-6-14)21-12-9(17)7(15)8(16)10(20-12)11(18)19/h1,5-10,12,15-17H,4H2,2H3,(H,18,19)/b6-5+/t7-,8-,9+,10-,12-,13?/m0/s1

InChIKey

QVPCVYXUELXQBC-KHPYKDKZSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)[C@@](\C=C\Cl)(C#C)CC