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Substance Name: 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-3-methyl-4-phenyl-, ethyl ester, (E)-
RN: 41958-57-0
InChIKey: LBDNFNIZWIELCP-UHFFFAOYSA-N

Molecular Formula

  • C19-H21-N-O2

Molecular Weight

  • 295.38
 
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Names and Synonyms

Synonyms

  • 5-20-08-00151 (Beilstein Handbook Reference)
  • BRN 1389680
  • trans-Ethyl 3-methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Systematic Name

  • 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-3-methyl-4-phenyl-, ethyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 41958-57-0

System Generated Number

  • 0041958570

Structure Descriptors

InChI

1S/C19H21NO2/c1-3-22-19(21)20-13-16-11-7-8-12-17(16)18(14(20)2)15-9-5-4-6-10-15/h4-12,14,18H,3,13H2,1-2H3

InChIKey

LBDNFNIZWIELCP-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccccc3)[C@@H](N(C(OCC)=O)Cc1cccc2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 342, 1973.