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Substance Name: 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-4-phenyl-2,7,7-trimethyl-, ethyl ester
RN: 13337-64-9
InChIKey: BHUYANTVBSTZDM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O3

Molecular Weight

  • 339.4325
 
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Names and Synonyms

Synonyms

  • 1,4,5,6,7,8-Hexahydro-5-oxo-4-phenyl-2,7,7-trimethyl-3-quinolinecarboxylic acid ethyl ester
  • 5-22-06-00426 (Beilstein Handbook Reference)
  • BRN 0496405

Systematic Name

  • 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-4-phenyl-2,7,7-trimethyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 13337-64-9

System Generated Number

  • 0013337649

Structure Descriptors

InChI

1S/C21H25NO3/c1-5-25-20(24)17-13(2)22-15-11-21(3,4)12-16(23)19(15)18(17)14-9-7-6-8-10-14/h6-10,18,22H,5,11-12H2,1-4H3

InChIKey

BHUYANTVBSTZDM-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC2=C(C1c3ccccc3)C(=O)CC(C2)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 17, 1981.