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Substance Name: Menabegenin
RN: 508-88-3
InChIKey: XZTUSOXSLKTKJQ-BGTVMMHMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H34-O4

Molecular Weight

  • 374.518
 
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Names and Synonyms

Results Name

  • Menabegenin

Synonyms

  • 17-alpha-Digitoxigenin
  • 3-beta,14-Dihydroxy-5-beta,17-alpha-card-20(22)-enolide
  • 4-18-00-01470 (Beilstein Handbook Reference)
  • BRN 0095444
  • Menabegenin

Systematic Names

  • 5-beta,17-alpha-Card-20(22)-enolide, 3-beta,14-dihydroxy-
  • Card-20(22)-enolide, 3,14-dihydroxy-, (3-beta,5-beta,17-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 508-88-3

System Generated Number

  • 0000508883

Structure Descriptors

InChI

1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17+,18+,19-,21+,22-,23+/m1/s1

InChIKey

XZTUSOXSLKTKJQ-BGTVMMHMSA-N

Smiles

C1C[C@@]2([C@@H]3[C@@H](CC[C@@H]2C[C@H]1O)[C@@]1(CC[C@H]([C@@]1(CC3)C)C=1COC(C1)=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD intravenous > 11200ug/kg (11.2mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 988, 1962.