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Substance Name: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-2-methyl-, hydrochloride, hydrate (2:2:1)
RN: 93203-06-6
InChIKey: VBXLHYCGQDAHGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-O3.Cl-H.1/2H2-O

Molecular Weight

  • 321.802
 
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Names and Synonyms

Synonym

  • 1,2,3,4-Tetrahydro-1-(4-methoxyphenyl)-2-methyl-4,6-isoquinolinediol hydrochloride H2O (2:2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93203-06-6

System Generated Number

  • 0093203066

Molecular Formulas

Molecular Formula

  • C17-H19-N-O3.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C17-H19-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H19NO3.ClH/c1-18-10-16(20)15-9-12(19)5-8-14(15)17(18)11-3-6-13(21-2)7-4-11;/h3-9,16-17,19-20H,10H2,1-2H3;1H

InChIKey

VBXLHYCGQDAHGW-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccc(OC)cc3)[N@@H+](C[C@@H](c1cc(O)cc2)O)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 837mg/kg (837mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 262, 1984.