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Substance Name: 2-Propenenitrile, 3-amino-3-(cyclohexylamino)-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-
RN: 171853-03-5
InChIKey: MCLAXLNSJMYDDV-KXDNKEIFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O

Molecular Weight

  • 308.383
 
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Names and Synonyms

Synonym

  • 2-(2-Cyano-3-amino-3-(cyclohexylamino)prop-2-enylidene)indolin-3-one

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 171853-03-5

System Generated Number

  • 0171853035

Structure Descriptors

InChI

1S/C18H20N4O/c19-11-12(18(20)21-13-6-2-1-3-7-13)10-16-17(23)14-8-4-5-9-15(14)22-16/h4-5,8-10,13,21-22H,1-3,6-7,20H2/b16-10-,18-12-

InChIKey

MCLAXLNSJMYDDV-KXDNKEIFSA-N

Smiles

c1ccc2c(c1)C(=O)/C(=C/C(=C(\N)/NC3CCCCC3)/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.