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Substance Name: 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-3-methyl-6-methylthio-1- (3,4,5-trimethoxyphenyl)-, hydrochloride
RN: 13574-91-9
InChIKey: JXNCMHDLLNTDQW-UHFFFAOYSA-N

Molecular Formula

  • C22-H26-N2-O3-S.Cl-H

Molecular Weight

  • 434.985
 
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Names and Synonyms

Synonym

  • 6-Methylthio-1-(3,4,5-trimethoxyphenyl)-3-methyl-1,2,3,4-tetrahydro-beta-carboline HCl

Systematic Name

  • 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-3-methyl-6-methylthio-1- (3,4,5-trimethoxyphenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 13574-91-9

System Generated Number

  • 0013574919

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C22-H26-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2O3S.ClH/c1-12-8-16-15-11-14(28-5)6-7-17(15)24-21(16)20(23-12)13-9-18(25-2)22(27-4)19(10-13)26-3;/h6-7,9-12,20,23-24H,8H2,1-5H3;1H

InChIKey

JXNCMHDLLNTDQW-UHFFFAOYSA-N

Smiles

[nH]1c2c(c3cc(ccc13)SC)C[C@@H](N[C@@H]2c1cc(c(c(c1)OC)OC)OC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7080ug/kg (7.08mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12523,