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Substance Name: 1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-5-(3-amino-2-cyano-3-(4-morpholinyl)-2-propenylidene)-2-methyl-4-oxo-, ethyl ester
RN: 171852-98-5
InChIKey: HABAJQWATPQJFG-YCJHWASLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N4-O4

Molecular Weight

  • 332.358
 
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Names and Synonyms

Synonym

  • 2-Methyl-3-ethoxycarbonyl-5-(2-cyano-3-amino-3-morpholinoprop-2-enylidene)-2-pyrrolin-4-one

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 171852-98-5

System Generated Number

  • 0171852985

Structure Descriptors

InChI

1S/C16H20N4O4/c1-3-24-16(22)13-10(2)19-12(14(13)21)8-11(9-17)15(18)20-4-6-23-7-5-20/h8,19H,3-7,18H2,1-2H3/b12-8-,15-11-

InChIKey

HABAJQWATPQJFG-YCJHWASLSA-N

Smiles

CCOC(=O)C1=C(N/C(=C\C(=C(/N)\N2CCOCC2)\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.