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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-(3-(trifluoromethyl)phenyl)-
RN: 96719-59-4
InChIKey: CRGSEZGTSABFPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H20-F3-N-O

Molecular Weight

  • 383.411
 
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Names and Synonyms

Synonym

  • 1,2,3,4-Tetrahydro-6-methoxy-2-phenyl-1-(3-(trifluoromethyl)phenyl)isoquinoline

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 96719-59-4

System Generated Number

  • 0096719594

Structure Descriptors

InChI

1S/C23H20F3NO/c1-28-20-10-11-21-16(15-20)12-13-27(19-8-3-2-4-9-19)22(21)17-6-5-7-18(14-17)23(24,25)26/h2-11,14-15,22H,12-13H2,1H3

InChIKey

CRGSEZGTSABFPT-UHFFFAOYSA-N

Smiles

N1([C@@H](c2ccc(cc2CC1)OC)c1cc(ccc1)C(F)(F)F)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 83, 1985.