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Substance Name: Benzestrol [USP:INN:BAN]
RN: 85-95-0
UNII: A27512LR47
InChIKey: DUTFBSAKKUNBAL-UHFFFAOYSA-N

Molecular Formula

  • C20-H26-O2

Molecular Weight

  • 298.423
 
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Names and Synonyms

Name of Substance

  • Benzestrol
  • Benzestrol [USP:INN:BAN]

Synonyms

  • 4,4'-(1,2-Diethyl-3-methyltrimethylene)diphenol
  • AI3-23191
  • Benzestrol
  • Benzestrolo
  • Benzestrolo [DCIT]
  • Benzestrolum
  • Benzestrolum [INN-Latin]
  • Benzoestrolum
  • Chemestrogen
  • Octoestrolum
  • UNII-A27512LR47

Systematic Names

  • 4,4'-(1,2-Diethyl-3-methyl-1,3-propanediyl)bisphenol
  • Phenol, 4,4'-(1,2-diethyl-3-methyl-1,3-propanediyl)bis-

Registry Numbers

CAS Registry Number

  • 85-95-0

FDA UNII

  • A27512LR47

System Generated Number

  • 0000085950

Structure Descriptors

InChI

1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3

InChIKey

DUTFBSAKKUNBAL-UHFFFAOYSA-N

Smiles

c1([C@@H]([C@@H]([C@@H](c2ccc(O)cc2)C)CC)CC)ccc(O)cc1