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Substance Name: Monocrotaline pyrrole
RN: 23291-96-5
UNII: 1HW8C6SVG7
InChIKey: ZONSVLURFASOJK-LLAGZRPASA-N

Classification Codes

  • Alkylating Agents
  • Cross-Linking Reagents
  • Indicators and Reagents
  • Noxae
  • Tumor Data

Molecular Formula

  • C16-H21-N-O6

Molecular Weight

  • 323.3429
 
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Names and Synonyms

Name of Substance

  • Monocrotaline pyrrole

Synonyms

  • 2H-(,6)Dioxacyclounlecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R-(3R*,4R*,5R*,13aR*))-
  • 3,8-Didehydromonocrotaline
  • Dehydromonocrotaline
  • Monocrotaline pyrrole
  • Monocrotaline pyrrole metabolite
  • Monocrotaline, 3,8-didehydro-
  • UNII-1HW8C6SVG7

Systematic Names

  • 20-Norcrotalanan-11,15-dione, 3,8-didehydro-14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)-
  • 2H-(,6)Dioxacyclounlecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,12,13,13a-hexahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR)-

Registry Numbers

CAS Registry Number

  • 23291-96-5

FDA UNII

  • 1HW8C6SVG7

System Generated Number

  • 0023291965

Structure Descriptors

InChI

1S/C16H21NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,6,9,11,20-21H,5,7-8H2,1-3H3/t9-,11+,15+,16-/m0/s1

InChIKey

ZONSVLURFASOJK-LLAGZRPASA-N

Smiles

C[C@H]1C(=O)O[C@@H]2CCn3c2c(cc3)COC(=O)[C@]([C@]1(C)O)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 16mg/kg (16mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES
Chemico-Biological Interactions. Vol. 12, Pg. 299, 1976.
rat LDLo intravenous 5mg/kg (5mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Pathology. Vol. 100, Pg. 169, 1970.