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Substance Name: Chasmanine
RN: 5066-78-4
InChIKey: DBODJJZRZFZBBD-UHFFFAOYSA-N

Molecular Formula

  • C25-H41-N-O6

Molecular Weight

  • 451.6
 
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Names and Synonyms

Results Name

  • Chasmanine

Synonyms

  • Chasmanin
  • Chasmanine
  • Toroko base II

Systematic Name

  • Aconitane-8,14-diol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1-alpha,6-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 5066-78-4

System Generated Number

  • 0005066784

Structure Descriptors

InChI

1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3

InChIKey

DBODJJZRZFZBBD-UHFFFAOYSA-N

Smiles

C(OC)[C@@]12[C@@H]3[C@@H]([C@@H]4[C@@]5(C[C@@H](OC)[C@@H]6C[C@@H]([C@@H]5[C@@H]6O)[C@@]3([C@@H](CC1)OC)[C@@H]4[N@@](CC)C2)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.