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Substance Name: 2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-(((3,4-dimethoxyphenyl)methyl)amino)-
RN: 171853-11-5
InChIKey: NRKHANNMFDSKQD-WZILSQLTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-N4-O3

Molecular Weight

  • 376.414
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 171853-11-5

System Generated Number

  • 0171853115

Structure Descriptors

InChI

1S/C21H20N4O3/c1-27-18-8-7-13(9-19(18)28-2)12-24-21(23)14(11-22)10-17-20(26)15-5-3-4-6-16(15)25-17/h3-10,24-25H,12,23H2,1-2H3/b17-10-,21-14-

InChIKey

NRKHANNMFDSKQD-WZILSQLTSA-N

Smiles

COc1ccc(cc1OC)CN/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.