Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-5-(3-amino-2-cyano-3-(1-piperidinyl)-2-propenylidene)-2-methyl-4-oxo-, ethyl ester
RN: 171852-97-4
InChIKey: TWTKKYBLPZQGKZ-RZWNUXTOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N4-O3

Molecular Weight

  • 330.3858
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 171852-97-4

System Generated Number

  • 0171852974

Structure Descriptors

InChI

1S/C17H22N4O3/c1-3-24-17(23)14-11(2)20-13(15(14)22)9-12(10-18)16(19)21-7-5-4-6-8-21/h9,20H,3-8,19H2,1-2H3/b13-9-,16-12-

InChIKey

TWTKKYBLPZQGKZ-RZWNUXTOSA-N

Smiles

CCOC(=O)C1=C(N/C(=C\C(=C(/N)\N2CCCCC2)\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.