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Substance Name: 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-
RN: 171853-14-8
InChIKey: LSGBAZBLUBKMRQ-ZRQCHXNDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-N4-O3

Molecular Weight

  • 390.4408
 
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Names and Synonyms

  • 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-

Registry Numbers

CAS Registry Number

  • 171853-14-8

System Generated Number

  • 0171853148

Structure Descriptors

InChI

1S/C22H22N4O3/c1-28-19-8-7-14(11-20(19)29-2)9-10-25-22(24)15(13-23)12-18-21(27)16-5-3-4-6-17(16)26-18/h3-8,11-12,25-26H,9-10,24H2,1-2H3/b18-12-,22-15-

InChIKey

LSGBAZBLUBKMRQ-ZRQCHXNDSA-N

Smiles

COc1ccc(cc1OC)CCN/C(=C(/C=C\2/C(=O)c3ccccc3N2)\C#N)/N

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.