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Substance Name: 4H-Cyclopenta(b)quinoline-4-acetic acid, 1,2,3,5,6,7,8,9-octahydro- 9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo-
RN: 78050-79-0
InChIKey: XDMSWKWKYMSCAU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H29-N-O8

Molecular Weight

  • 483.5141
 
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Names and Synonyms

Synonym

  • BRN 5188336

Systematic Name

  • 4H-Cyclopenta(b)quinoline-4-acetic acid, 1,2,3,5,6,7,8,9-octahydro- 9-(3,4,5-trimethoxyphenyl)-2,6,6-trimethyl-1,3,8-trioxo-

Registry Numbers

CAS Registry Number

  • 78050-79-0

System Generated Number

  • 0078050790

Structure Descriptors

InChI

1S/C26H29NO8/c1-12-23(31)21-19(13-7-16(33-4)25(35-6)17(8-13)34-5)20-14(9-26(2,3)10-15(20)28)27(11-18(29)30)22(21)24(12)32/h7-8,12,19H,9-11H2,1-6H3,(H,29,30)

InChIKey

XDMSWKWKYMSCAU-UHFFFAOYSA-N

Smiles

CC1C(=O)C2=C(C1=O)N(C3=C(C2c4cc(c(c(c4)OC)OC)OC)C(=O)CC(C3)(C)C)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg) VASCULAR: PULSE PRESSURE INCREASE

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