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Substance Name: Contignasterol
RN: 137571-30-3
InChIKey: IRHVLQMEQPABHG-QUZWXNHXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H48-O7

Molecular Weight

  • 508.691
 
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Names and Synonyms

Name of Substance

  • Contignasterol

Synonyms

  • BRN 4891825
  • Contignasterol
  • IZP-94005
  • Pneumocort

Systematic Name

  • Stigmas-tan-15-one, 22,29-epoxy-3,4,6,7,29-pentahydroxy-, (3-alpha,4-beta,5-alpha,6-alpha,7-beta,14-beta,22S)-

Registry Numbers

CAS Registry Number

  • 137571-30-3

System Generated Number

  • 0137571303

Structure Descriptors

InChI

1S/C29H48O7/c1-13(2)15-10-20(36-21(32)11-15)14(3)17-12-19(31)23-22-16(6-8-29(17,23)5)28(4)9-7-18(30)25(33)24(28)27(35)26(22)34/h13-18,20-27,30,32-35H,6-12H2,1-5H3/t14-,15-,16-,17+,18+,20+,21?,22+,23+,24+,25-,26+,27+,28+,29+/m0/s1

InChIKey

IRHVLQMEQPABHG-QUZWXNHXSA-N

Smiles

C1C[C@@]2([C@H]3CC[C@@]4([C@H](CC([C@H]4[C@@H]3[C@H]([C@@H]([C@H]2[C@H]([C@@H]1O)O)O)O)=O)[C@@H]([C@H]1C[C@@H](C[C@@H](O)O1)C(C)C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   Drugs of the Future. Vol. 19, Pg. 738, 1994.