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Substance Name: 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-acetyl-1-(4-methoxybenzyl)-, hydrochloride
RN: 69440-51-3
InChIKey: CMQVUMLENPJCIZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O2.Cl-H

Molecular Weight

  • 334.4168
 
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Names and Synonyms

Synonym

  • 6-Acetyl-1-methoxybenzyl-1,2,3,4-tetrahydro-beta-carboline hydrochloride

Systematic Name

  • 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-acetyl-1-(4-methoxybenzyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 69440-51-3

System Generated Number

  • 0069440513

Molecular Formulas

Molecular Formula

  • C21-H22-N2-O2.Cl-H

Molecular Formula Fragments

  • C21-H22-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N2O2/c1-13(24)15-5-8-19-18(12-15)17-9-10-22-20(21(17)23-19)11-14-3-6-16(25-2)7-4-14/h3-8,12,20,22-23H,9-11H2,1-2H3

InChIKey

CMQVUMLENPJCIZ-UHFFFAOYSA-N

Smiles

CC(=O)c1ccc2c(c1)c3c([nH]2)C(NCC3)Cc4ccc(cc4)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 141, 1964.