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Substance Name: 2-Propenenitrile, 3,3-diamino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-
RN: 171853-02-4
InChIKey: JCHWIVYZWQCHAX-BJMVGYQFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H10-N4-O

Molecular Weight

  • 226.238
 
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Names and Synonyms

Synonyms

  • 2-(2-Cyano-3,3-diaminoprop-2-enylidene)indolin-3-one
  • 3,3-Diamino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-2-propenenitrile

Systematic Name

  • 2-Propenenitrile, 3,3-diamino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-

Registry Numbers

CAS Registry Number

  • 171853-02-4

System Generated Number

  • 0171853024

Structure Descriptors

InChI

1S/C12H10N4O/c13-6-7(12(14)15)5-10-11(17)8-3-1-2-4-9(8)16-10/h1-5,16H,14-15H2/b10-5+

InChIKey

JCHWIVYZWQCHAX-BJMVGYQFSA-N

Smiles

c1ccc2c(c1)C(=O)/C(=C\C(=C(N)N)C#N)/N2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 610, 1995.