Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-(3-(dimethylamino)propyl)-1-oxo-4-phenyl-
RN: 112392-93-5
InChIKey: OTHWPBMNQTUUCN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O3

Molecular Weight

  • 350.4158
 
* 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-(3-(Dimethylamino)propyl)-1-oxo-4-phenyl-1,2-dihydro-3-isoquinolinecarboxylic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112392-93-5

System Generated Number

  • 0112392935

Structure Descriptors

InChI

1S/C21H22N2O3/c1-22(2)13-8-14-23-19(21(25)26)18(15-9-4-3-5-10-15)16-11-6-7-12-17(16)20(23)24/h3-7,9-12H,8,13-14H2,1-2H3,(H,25,26)

InChIKey

OTHWPBMNQTUUCN-UHFFFAOYSA-N

Smiles

CN(C)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.