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Substance Name: Pyrrolo(2,1-a)isoquinolin-3(2H)-one, 1-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-5,6-dihydro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-
RN: 129762-57-8
InChIKey: SKPTUBZMOKIXCW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H25-F3-N2-O2

Molecular Weight

  • 454.4895
 
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Names and Synonyms

Synonyms

  • 1-(3,4-Dihydro-3,3-dimethyl-1-isoquinolinyl)-5,6-dihydro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)pyrrolo(2,1-a)isoquinolin-3(2H)-one
  • BRN 4340420

Systematic Name

  • Pyrrolo(2,1-a)isoquinolin-3(2H)-one, 1-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-5,6-dihydro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 129762-57-8

System Generated Number

  • 0129762578

Structure Descriptors

InChI

1S/C26H25F3N2O2/c1-23(2)13-15-9-5-7-11-17(15)20(30-23)19-21-18-12-8-6-10-16(18)14-24(3,4)31(21)22(32)25(19,33)26(27,28)29/h5-12,33H,13-14H2,1-4H3

InChIKey

SKPTUBZMOKIXCW-UHFFFAOYSA-N

Smiles

CC1(Cc2ccccc2C(=N1)C3=C4c5ccccc5CC(N4C(=O)C3(C(F)(F)F)O)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 235mg/kg (235mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 57, 1992.