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Substance Name: Carbestrol
RN: 1755-52-8
UNII: C85AI8SOCH
InChIKey: VJKVHUZOVAWKEB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect

Molecular Formula

  • C17-H22-O3

Molecular Weight

  • 274.358
 
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Names and Synonyms

Results Name

  • Carbestrol

Name of Substance

  • Carbestrol

Synonyms

  • 2-Methyl-3-ethyl-4-p-methoxyphenyl-delta(sup 3)-cyclohexene carboxylic acid
  • 3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid
  • 4-10-00-01138 (Beilstein Handbook Reference)
  • BRN 2653888
  • Carbestrol
  • NSC-19962
  • ORF 2166
  • U 2911
  • UNII-C85AI8SOCH

Systematic Names

  • 3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl- (9CI)
  • 3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(p-methoxyphenyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 1755-52-8

FDA UNII

  • C85AI8SOCH

System Generated Number

  • 0001755528

Structure Descriptors

InChI

1S/C17H22O3/c1-4-14-11(2)15(17(18)19)9-10-16(14)12-5-7-13(20-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3,(H,18,19)

InChIKey

VJKVHUZOVAWKEB-UHFFFAOYSA-N

Smiles

C1(c2ccc(OC)cc2)=C([C@@H]([C@@H](C(O)=O)CC1)C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 126mg/kg/6W-I (126mg/kg) BEHAVIORAL: ANOREXIA (HUMAN

GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Cancer Chemotherapy Reports, Part 1. Vol. 56, Pg. 641, 1972.