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Substance Name: 6-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride, (Z)-
RN: 57464-36-5
InChIKey: MGULVNWJHKOYIJ-ZKMYOKSESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N-O5.Cl-H

Molecular Weight

  • 399.912
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 3,4,5-trimethoxy-, decahydro-2-methylisoquinolin-6-yl ester, hydrochloride cis
  • cis-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride
  • cis-Decahydro-2-methyl-6-isoquinolinol 3,4,5-trimethoxybenzoate hydrochloride

Systematic Name

  • 6-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride, (Z)-

Registry Numbers

CAS Registry Number

  • 57464-36-5

System Generated Number

  • 0057464365

Molecular Formulas

Molecular Formula

  • C20-H29-N-O5.Cl-H

Molecular Formula Fragments

  • C20-H29-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29NO5.ClH/c1-21-8-7-13-9-16(6-5-14(13)12-21)26-20(22)15-10-17(23-2)19(25-4)18(11-15)24-3;/h10-11,13-14,16H,5-9,12H2,1-4H3;1H/t13?,14?,16-;/m0./s1

InChIKey

MGULVNWJHKOYIJ-ZKMYOKSESA-N

Smiles

C1[C@@H]2[C@@H](CC[C@@H]1OC(c1cc(c(OC)c(c1)OC)OC)=O)C[N@@H+](C)CC2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 217mg/kg (217mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 1227, 1975.