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Substance Name: 1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-5-(3-amino-2-cyano-3-(((4-methoxyphenyl)methyl)amino)-2-propenylidene)-2-methyl-4-oxo-, ethyl ester
RN: 171853-00-2
InChIKey: RIGHMHJDJNNSAR-MCJAUHPKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N4-O4

Molecular Weight

  • 382.4178
 
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Names and Synonyms

  • 1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-5-(3-amino-2-cyano-3-(((4-methoxyphenyl)methyl)amino)-2-propenylidene)-2-methyl-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 171853-00-2

System Generated Number

  • 0171853002

Structure Descriptors

InChI

1S/C20H22N4O4/c1-4-28-20(26)17-12(2)24-16(18(17)25)9-14(10-21)19(22)23-11-13-5-7-15(27-3)8-6-13/h5-9,23-24H,4,11,22H2,1-3H3/b16-9+,19-14-

InChIKey

RIGHMHJDJNNSAR-MCJAUHPKSA-N

Smiles

CCOC(=O)C1=C(N/C(=C/C(=C(\N)/NCc2ccc(cc2)OC)/C#N)/C1=O)C

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.