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Substance Name: Diacetylmonocrotaline
RN: 25490-68-0
InChIKey: QYZUGPWAGWFQNV-UHFFFAOYSA-N

Molecular Formula

  • C20-H27-N-O8

Molecular Weight

  • 409.432
 
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Names and Synonyms

Name of Substance

  • Diacetylmonocrotaline

Synonyms

  • 4-27-00-06661 (Beilstein Handbook Reference)
  • BRN 0064212
  • Diacetylmonocrotaline
  • Monocrotaline, diacetate (6CI)

Systematic Names

  • 20-Norcrotalanan-11,15-dione, 12,13-bis(acetyloxy)-14,19-dihydro-, (13-alpha,14-alpha)- (9CI)
  • Monocrotaline, diacetate (ester)

Registry Numbers

CAS Registry Number

  • 25490-68-0

System Generated Number

  • 0025490680

Structure Descriptors

InChI

1S/C20H27NO8/c1-11-17(24)27-15-7-9-21-8-6-14(16(15)21)10-26-18(25)20(5,29-13(3)23)19(11,4)28-12(2)22/h6,11,15-16H,7-10H2,1-5H3

InChIKey

QYZUGPWAGWFQNV-UHFFFAOYSA-N

Smiles

C[C@@]1([C@@H](C(O[C@@H]2CC[N@@]3CC=C(COC([C@@]1(C)OC(C)=O)=O)[C@@H]23)=O)C)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 78mg/kg (78mg/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Chemico-Biological Interactions. Vol. 12, Pg. 299, 1976.