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Substance Name: 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-
RN: 112392-91-3
InChIKey: AEGYDGJTEDQRII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-N2-O3

Molecular Weight

  • 362.4268
 
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Names and Synonyms

Synonym

  • 1-Oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-1,2-dihydro-3-isoquinolinecarboxylic acid

Systematic Name

  • 3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-phenyl-2-(2-(1-pyrrolidinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 112392-91-3

System Generated Number

  • 0112392913

Structure Descriptors

InChI

1S/C22H22N2O3/c25-21-18-11-5-4-10-17(18)19(16-8-2-1-3-9-16)20(22(26)27)24(21)15-14-23-12-6-7-13-23/h1-5,8-11H,6-7,12-15H2,(H,26,27)

InChIKey

AEGYDGJTEDQRII-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2c3ccccc3c(=O)n(c2C(=O)O)CCN4CCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 437, 1986.
mouse LD50 oral 700mg/kg (700mg/kg)   Bollettino Chimico Farmaceutico. Vol. 125, Pg. 437, 1986.