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Substance Name: 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-4-(3,4,5-trimethoxyphenyl)-2,7,7-trimethyl-, ethyl ester
RN: 78080-70-3
InChIKey: NGEIFOVGVAGVAM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O6

Molecular Weight

  • 429.5099
 
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Names and Synonyms

Synonym

  • BRN 5165506

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78080-70-3

System Generated Number

  • 0078080703

Structure Descriptors

InChI

1S/C24H31NO6/c1-8-31-23(27)19-13(2)25-15-11-24(3,4)12-16(26)21(15)20(19)14-9-17(28-5)22(30-7)18(10-14)29-6/h9-10,20,25H,8,11-12H2,1-7H3

InChIKey

NGEIFOVGVAGVAM-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC2=C(C1c3cc(c(c(c3)OC)OC)OC)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.