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Substance Name: Bisnordihydrotoxiferine
RN: 24163-58-4
InChIKey: XISKMNBBUQQBBE-ANUZYNSFSA-N

Note

  • From Strychnos trinervis root bark.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C38-H40-N4

Molecular Weight

  • 552.762
 
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Names and Synonyms

Name of Substance

  • Bisnordihydrotoxiferine

Synonyms

  • 4,4'-Didemethyl-18,18'-dideoxytoxiferine I
  • Bisnor
  • Bisnordihydro toxiferine
  • Dihydronortoxiferine
  • Dihydronortoxiferine I
  • Nordihydrotoxiferine

Systematic Names

  • Nortoxiferine, dihydro- (6CI,8CI)
  • Toxiferine I, 4,4'-didemethyl-18,18'-dideoxy-

Registry Numbers

CAS Registry Number

  • 24163-58-4

System Generated Number

  • 0024163584

Structure Descriptors

InChI

1S/C38H40N4/c1-3-23-19-39-15-13-37-29-9-5-8-12-32(29)42-22-28-26-18-34-38(14-16-40(34)20-24(26)4-2)30-10-6-7-11-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-12,21-22,25-26,33-36H,13-20H2,1-2H3/b23-3-,24-4-,27-21-,28-22-

InChIKey

XISKMNBBUQQBBE-ANUZYNSFSA-N

Smiles

c12c(cccc1)[C@@]13[C@@H]4C[C@@H](C=5[C@@H]3N2C=C2[C@@H]3N(c6c([C@@]73[C@@H]3C[C@@H]2\C(C[N@@]3CC7)=C/C)cccc6)C5)\C(C[N@@]4CC1)=C/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 237mg/kg (237mg/kg) GASTROINTESTINAL: OTHER CHANGES Journal of Pharmacy and Pharmacology. Vol. 40, Pg. 79, 1988.