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Substance Name: 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-2-(phenylmethyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate (3:3:1)
RN: 79677-06-8
InChIKey: TVRBNZIOPHXBKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N-O5.Cl-H.1/3H2-O

Molecular Weight

  • 457.951
 
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Names and Synonyms

  • 4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-2-(phenylmethyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate (3:3:1)

Registry Numbers

CAS Registry Number

  • 79677-06-8

System Generated Number

  • 0079677068

Molecular Formulas

Molecular Formula

  • C25-H27-N-O5.Cl-H.1/3H2-O

Molecular Formula Fragments

  • C25-H27-N-O5
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H27NO5.ClH/c1-29-22-11-17(12-23(30-2)25(22)31-3)24-19-10-9-18(27)13-20(19)21(28)15-26(24)14-16-7-5-4-6-8-16;/h4-13,21,24,27-28H,14-15H2,1-3H3;1H

InChIKey

TVRBNZIOPHXBKR-UHFFFAOYSA-N

Smiles

c12[C@@H](c3cc(c(OC)c(c3)OC)OC)[N@@H+](C[C@@H](c1cc(O)cc2)O)Cc1ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2876mg/kg (2876mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 262, 1984.