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Substance Name: CGI 14600
RN: 118472-63-2
InChIKey: YNMGHQWHBRPGRE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N-O3

Molecular Weight

  • 391.5081
 
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Names and Synonyms

Results Name

  • CGI 14600

Synonyms

  • BRN 4569799
  • CGI 14600

Systematic Name

  • 1H-Indol-4-one, 1,5,6,7-tetrahydro-3-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-1-phenyl-2,6,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 118472-63-2

System Generated Number

  • 0118472632

Structure Descriptors

InChI

1S/C25H29NO3/c1-15-21(23-19(28)13-25(4,5)14-20(23)29)22-17(11-24(2,3)12-18(22)27)26(15)16-9-7-6-8-10-16/h6-10,28H,11-14H2,1-5H3

InChIKey

YNMGHQWHBRPGRE-UHFFFAOYSA-N

Smiles

Cc1c(c2c(n1c3ccccc3)CC(CC2=O)(C)C)C4=C(CC(CC4=O)(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 189, 1988.
rat LD50 oral > 3gm/kg (3000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 189, 1988.