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Substance Name: 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-(3-(diethylamino)propyl)-1-oxo-4-phenyl-
RN: 112392-92-4
InChIKey: NBXRUJBJSYDTRT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N2-O3

Molecular Weight

  • 378.4694
 
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Names and Synonyms

Synonym

  • 2-(3-(Diethylamino)propyl)-oxo-4-phenyl-1,2-dihydro-3-isoquinolinecarboxylic acid

Systematic Name

  • 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-(3-(diethylamino)propyl)-1-oxo-4-phenyl-

Registry Numbers

CAS Registry Number

  • 112392-92-4

System Generated Number

  • 0112392924

Structure Descriptors

InChI

1S/C23H26N2O3/c1-3-24(4-2)15-10-16-25-21(23(27)28)20(17-11-6-5-7-12-17)18-13-8-9-14-19(18)22(25)26/h5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,27,28)

InChIKey

NBXRUJBJSYDTRT-UHFFFAOYSA-N

Smiles

CCN(CC)CCCn1c(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.