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Substance Name: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-2-(phenylmethyl)-, hydrochloride, hydrate
RN: 93202-97-2
InChIKey: PGXWVQFRMUHEMV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-O2.Cl-H.H2-O

Molecular Weight

  • 305.803
 
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Names and Synonyms

Synonym

  • 1,2,3,4-Tetrahydro-1-methyl-2-(phenylmethyl)-4,6-isoquinolinediol hydrochloride hydrate

Systematic Name

  • 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-2-(phenylmethyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 93202-97-2

System Generated Number

  • 0093202972

Molecular Formulas

Molecular Formula

  • C17-H19-N-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C17-H19-N-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H19NO2.ClH/c1-12-15-8-7-14(19)9-16(15)17(20)11-18(12)10-13-5-3-2-4-6-13;/h2-9,12,17,19-20H,10-11H2,1H3;1H

InChIKey

PGXWVQFRMUHEMV-UHFFFAOYSA-N

Smiles

c12c([C@@H](C[N@@H+]([C@@H]1C)Cc1ccccc1)O)cc(O)cc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1140mg/kg (1140mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 262, 1984.