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Substance Name: Etynodiol [INN:BAN]
RN: 1231-93-2
UNII: 9E01C36A9S
InChIKey: JYILPERKVHXLNF-QMNUTNMBSA-N

Classification Codes

  • Hormone
  • Human Data
  • Reproductive Effect

Molecular Formula

  • C20-H28-O2

Molecular Weight

  • 300.4392
 
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Names and Synonyms

Name of Substance

  • Ethynodiol
  • Etynodiol [INN:BAN]

Synonyms

  • (3-beta,17-alpha)-19-Norpregn-4-en-20-yne-3,17-diol
  • 17-alpha-Ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol
  • Aethynodiolum
  • EINECS 214-971-5
  • Ethinodiol
  • Ethynodiol
  • Etinodiol
  • Etinodiol [INN-Spanish]
  • Etinodiolo
  • Etinodiolo [DCIT]
  • Etynodiol
  • Etynodiolum
  • Etynodiolum [INN-Latin]
  • HSDB 7897
  • UNII-9E01C36A9S

Systematic Names

  • 17alpha-Ethynyl-estra-4-ene-3beta,17beta-diol
  • 19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol
  • 19-Norpregn-4-en-20-yne-3,17-diol, (3-beta,17-alpha)- (9CI)
  • Etynodiol

Registry Numbers

CAS Registry Number

  • 1231-93-2

FDA UNII

  • 9E01C36A9S

System Generated Number

  • 0001231932

Structure Descriptors

InChI

1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

JYILPERKVHXLNF-QMNUTNMBSA-N

Smiles

C1[C@@H]2[C@@]([C@@](C#C)(O)C1)(CC[C@H]1[C@H]2CCC=2[C@@H]1CC[C@@H](C2)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.620 (none)   EST
Atmospheric OH Rate Constant 1.27E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.