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Substance Name: Crambene
RN: 6071-81-4
InChIKey: PBCLOVRWBLGJQA-RXMQYKEDSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C5-H7-N-O

Molecular Weight

  • 97.1163
 
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Names and Synonyms

Name of Substance

  • Crambene

Synonyms

  • 1-Cyano-2-hydroxy-3-butene
  • AI3-52769
  • Butene, (S)-1-cyano-2-hydroxy-3-
  • NSC 321802
  • S-1-Cyano-2-hydroxy-3-butene
  • S-3-Hydroxy-4-pentenonitrile

Systematic Names

  • 4-Pentenenitrile, 3-hydroxy-, (S)-
  • 4-Pentenonitrile, 3-hydroxy-, S-

Registry Numbers

CAS Registry Number

  • 6071-81-4

System Generated Number

  • 0006071814

Structure Descriptors

InChI

1S/C5H7NO/c1-2-5(7)3-4-6/h2,5,7H,1,3H2/t5-/m1/s1

InChIKey

PBCLOVRWBLGJQA-RXMQYKEDSA-N

Smiles

O[C@@H](CC#N)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 170mg/kg (170mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 483, 1969.
rat LD50 subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: COMA Food and Cosmetics Toxicology. Vol. 18, Pg. 159, 1980.