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Substance Name: 3-Oxo-bisnorchola-1,4-dien-22-oic acid
RN: 71154-85-3
InChIKey: OZESBBVMFLIODA-VJFOQZSSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-O3

Molecular Weight

  • 342.476
 
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Names and Synonyms

Name of Substance

  • 3-Oxo-bisnorchola-1,4-dien-22-oic acid

Synonyms

  • 3-Oxo-bisnorchola-1,4-dien-22-oic acid
  • 3-Oxopregna-1,4-diene-20-carboxylic acid
  • EINECS 275-222-6

Systematic Names

  • 3-Oxopregna-1,4-diene-20-carboxylic acid
  • Pregna-1,4-diene-20-carboxylic acid, 3-oxo-

Registry Numbers

CAS Registry Number

  • 71154-85-3

System Generated Number

  • 0071154853

Structure Descriptors

InChI

1S/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)/t13?,16-,17+,18-,19-,21-,22+/m0/s1

InChIKey

OZESBBVMFLIODA-VJFOQZSSSA-N

Smiles

C1(C=C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CCC2=C1)[C@@H](C)C(=O)O)C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 400mg/kg (400mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #80-133316,