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Substance Name: Fenestrel [USAN:INN]
RN: 7698-97-7
UNII: LEC4215V9R
InChIKey: CLMFEXDZPBGYQQ-UHFFFAOYSA-N

Classification Codes

  • Estrogen
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C16-H20-O2

Molecular Weight

  • 244.332
 
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Names and Synonyms

Name of Substance

  • Fenestrel
  • Fenestrel [USAN:INN]

Synonyms

  • 2-Methyl-3-ethyl-4-phenyl-4-cyclohexene carboxylic acid
  • 2-Methyl-3-ethyl-4-phenyl-delta(sup 4)-cyclohexenecarboxylic acid
  • 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
  • AI3-62334
  • BRN 1879525
  • Fenestrel
  • Fenestrelo
  • Fenestrelo [INN-Spanish]
  • Fenestrelum
  • Fenestrelum [INN-Latin]
  • ORF 3858
  • UNII-LEC4215V9R

Systematic Names

  • 3-Cyclohexene-1-carboxylic acid, 5-ethyl-6-methyl-4-phenyl-
  • 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid

Registry Numbers

CAS Registry Number

  • 7698-97-7

FDA UNII

  • LEC4215V9R

Related Registry Number

  • 16550-39-3 (hydrochloride salt)

System Generated Number

  • 0007698977

Structure Descriptors

InChI

1S/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)

InChIKey

CLMFEXDZPBGYQQ-UHFFFAOYSA-N

Smiles

C=1([C@@H]([C@@H]([C@@H](C(O)=O)CC1)C)CC)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 20mg/kg (20mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 19, Pg. 412, 1971.
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Toxicology and Applied Pharmacology. Vol. 19, Pg. 412, 1971.
mouse LD50 oral 680mg/kg (680mg/kg)   Toxicology and Applied Pharmacology. Vol. 19, Pg. 412, 1971.
rat LD50 oral 2350mg/kg (2350mg/kg)   Toxicology and Applied Pharmacology. Vol. 19, Pg. 412, 1971.