3-oxopregna-1,4-diene-20-carboxylic acid

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Names

[ CAS No. ]:
71154-85-3

[ Name ]:
3-oxopregna-1,4-diene-20-carboxylic acid

[Synonym ]:
3-oxo-23,24-bisnorchola-1,4-dienoic acid
3-oxo-23,24-bisnorchola-1,4-dien-22-oate
3-Oxobisnorchola-1,4-diensaeure
(20S)-3-Oxopregna-1,4-dien-20-carbonsaeure
3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid

Chemical & Physical Properties

[ Molecular Formula ]:
C22H30O3

[ Molecular Weight ]:
342.47200

[ Exact Mass ]:
342.21900

[ PSA ]:
54.37000

[ LogP ]:
4.63120

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU3585000
CHEMICAL NAME :
Pregna-1,4-diene-20-carboxylic acid, 3-oxo-
CAS REGISTRY NUMBER :
71154-85-3
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H30-O3
MOLECULAR WEIGHT :
342.52

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #80-133316

Related Compounds

  • 7 alpha,12 alpha-dihydroxy-3-oxopregna-1,4-diene-20-carboxylic acid
  • 2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
  • (20S)-3-oxopregna-1,4-diene-20-carboxaldehyde
  • 3-[1-(4-nitroanilino)ethylidene]-4-oxocyclohexa-1,5-diene-1-carboxylic acid
  • 3-[(4-ethoxycarbonylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
  • 3-[(2-nitrophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
  • 2-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylic acid
  • 2-[(2,2-Dimethylcyclopropyl)methyl]thiolane-2-carbaldehyde
  • 5-acetamido-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
  • 4-[(Benzyloxy)carbonyl]-6-(trifluoromethyl)morpholine-3-carboxylic acid
  • 3-Chloro-2,5-dimethyl-6-(2,2,2-trifluoroacetamido)benzoic acid
  • 3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)oxetan-3-yl]benzoic acid
  • (9H-fluoren-9-yl)methyl N-(2-formyl-4,5-dimethylphenyl)carbamate
  • 4-{[(Benzyloxy)carbonyl]amino}-2,3,5-trifluorobenzoic acid
  • (9H-fluoren-9-yl)methyl N-[(3-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)carbamate
  • (9H-fluoren-9-yl)methyl N-[4-fluoro-3-(prop-2-enamido)phenyl]carbamate
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