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Substance Name: 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-4-(2-(trifluoromethyl)phenyl)-2,7,7-trimethyl-, ethyl ester
RN: 78050-80-3
InChIKey: ADRLFQYAAGFRPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-F3-N-O3

Molecular Weight

  • 407.4296
 
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Names and Synonyms

Synonyms

  • 5-Oxo-2,7,7-trimethyl-4-(o-trifluorophenyl)-3-ethoxycarbonyl-1,4,5,6,7,8-hexahydroquinoline
  • BRN 5162193

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78050-80-3

System Generated Number

  • 0078050803

Structure Descriptors

InChI

1S/C22H24F3NO3/c1-5-29-20(28)17-12(2)26-15-10-21(3,4)11-16(27)19(15)18(17)13-8-6-7-9-14(13)22(23,24)25/h6-9,18,26H,5,10-11H2,1-4H3

InChIKey

ADRLFQYAAGFRPK-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC2=C(C1c3ccccc3C(F)(F)F)C(=O)CC(C2)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"
Pharmaceutical Chemistry Journal Vol. 15, Pg. 17, 1981.