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Substance Name: Dehydroretronecine
RN: 23107-12-2
UNII: QG6MWR17OH
InChIKey: QFPRRXUPCPFWKD-SSDOTTSWSA-N

Note

  • Major pyrrole metabolite of monocrotaline.

Molecular Formula

  • C8-H11-N-O2

Molecular Weight

  • 153.1799
 

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Dehydroretronecine

Synonyms

  • 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-, (R)-
  • CCRIS 1862
  • Dehydroretronecine
  • Retronecine pyrrole
  • UNII-QG6MWR17OH

Systematic Names

  • 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-, (1R)-
  • Dehydroretronecine
  • Retronecine, 3,8-didehydro-

Registry Numbers

CAS Registry Number

  • 23107-12-2

FDA UNII

  • QG6MWR17OH

System Generated Number

  • 0023107122

Structure Descriptors

InChI

1S/C8H11NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,3,7,10-11H,2,4-5H2/t7-/m1/s1

InChIKey

QFPRRXUPCPFWKD-SSDOTTSWSA-N

Smiles

c1cn2c(c1CO)[C@@H](CC2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 122mg/kg (122mg/kg)   Chemico-Biological Interactions. Vol. 12, Pg. 299, 1976.