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Substance Name: 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-((2,3-dihydroxypropyl)amino)-
RN: 171853-05-7
InChIKey: VNRMWXXRGHDAGT-GVKLBPNGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-N4-O3

Molecular Weight

  • 300.3164
 
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Names and Synonyms

Synonym

  • 2-(2-Cyano-3-amino-3-(beta,gamma-dihydroxypropylamino)prop-2-enylidene)indolin-3-one

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 171853-05-7

System Generated Number

  • 0171853057

Structure Descriptors

InChI

1S/C15H16N4O3/c16-6-9(15(17)18-7-10(21)8-20)5-13-14(22)11-3-1-2-4-12(11)19-13/h1-5,10,18-21H,7-8,17H2/b13-5-,15-9-

InChIKey

VNRMWXXRGHDAGT-GVKLBPNGSA-N

Smiles

c1ccc2c(c1)C(=O)/C(=C/C(=C(\N)/NCC(CO)O)/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.