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Substance Name: 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-(2-(dimethylamino)ethyl)-1-oxo-4-phenyl-
RN: 112392-95-7
InChIKey: TVWIGZSGQRTPKW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N2-O3

Molecular Weight

  • 336.389
 
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Names and Synonyms

Synonym

  • 2-(2-(Dimethylamino)ethyl)-1-oxo-4-phenyl-1,2-dihydro-3-isoquinolinecarboxylic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112392-95-7

System Generated Number

  • 0112392957

Structure Descriptors

InChI

1S/C20H20N2O3/c1-21(2)12-13-22-18(20(24)25)17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)19(22)23/h3-11H,12-13H2,1-2H3,(H,24,25)

InChIKey

TVWIGZSGQRTPKW-UHFFFAOYSA-N

Smiles

CN(C)CCn1c(c(c2ccccc2c1=O)c3ccccc3)C(=O)O

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.