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Substance Name: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(2-hydroxyphenyl)-2-(phenylmethyl)-, hydrochloride
RN: 93202-98-3
InChIKey: IUNJTJVVPZTTGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N-O3.Cl-H

Molecular Weight

  • 383.873
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93202-98-3

System Generated Number

  • 0093202983

Molecular Formulas

Molecular Formula

  • C22-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H21NO3.ClH/c24-16-10-11-17-19(12-16)21(26)14-23(13-15-6-2-1-3-7-15)22(17)18-8-4-5-9-20(18)25;/h1-12,21-22,24-26H,13-14H2;1H

InChIKey

IUNJTJVVPZTTGH-UHFFFAOYSA-N

Smiles

c12[C@@H]([N@@H+](C[C@@H](c1cc(O)cc2)O)Cc1ccccc1)c1c(cccc1)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 612mg/kg (612mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 262, 1984.