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Substance Name: Benzoic acid, 4-(((3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1(2H)-isoquinolinylidene)acetyl)amino)-, ethyl ester, monohydrochloride, (Z)-
RN: 132680-94-5
InChIKey: GAEYPSMDAYDMGN-OKOHOLKASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-N2-O5.Cl-H

Molecular Weight

  • 460.9551
 
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Names and Synonyms

  • Benzoic acid, 4-(((3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1(2H)-isoquinolinylidene)acetyl)amino)-, ethyl ester, monohydrochloride, (Z)-

Registry Numbers

CAS Registry Number

  • 132680-94-5

System Generated Number

  • 0132680945

Molecular Formulas

Molecular Formula

  • C24-H28-N2-O5.Cl-H

Molecular Formula Fragments

  • C24-H28-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H28N2O5.ClH/c1-6-31-23(28)15-7-9-17(10-8-15)25-22(27)13-19-18-12-21(30-5)20(29-4)11-16(18)14-24(2,3)26-19;/h7-13,26H,6,14H2,1-5H3,(H,25,27);1H/b19-13-;

InChIKey

GAEYPSMDAYDMGN-OKOHOLKASA-N

Smiles

CCOC(=O)c1ccc(cc1)NC(=O)/C=C\2/c3cc(c(cc3CC(N2)(C)C)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 882, 1990.