Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-5-(3-amino-2-cyano-3-(((3,4-dimethoxyphenyl)methyl)amino)-2-propenylidene)-2-methyl-4-oxo-, ethyl ester
RN: 171853-01-3
InChIKey: XISIDIXCBLYOSF-IOMJGVGASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N4-O5

Molecular Weight

  • 412.4436
 
* 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

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

Registry Numbers

CAS Registry Number

  • 171853-01-3

System Generated Number

  • 0171853013

Structure Descriptors

InChI

1S/C21H24N4O5/c1-5-30-21(27)18-12(2)25-15(19(18)26)9-14(10-22)20(23)24-11-13-6-7-16(28-3)17(8-13)29-4/h6-9,24-25H,5,11,23H2,1-4H3/b15-9+,20-14-

InChIKey

XISIDIXCBLYOSF-IOMJGVGASA-N

Smiles

CCOC(=O)C1=C(N/C(=C/C(=C(\N)/NCc2ccc(c(c2)OC)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.