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Substance Name: 4-Quinolinol, decahydro-1-(2-(3,4-dimethoxyphenyl)ethyl)-4-ethynyl-2-methyl-, hydrochloride, (2-alpha,4-beta,4a-beta,8a-alpha)-
RN: 126356-27-2
InChIKey: NAZMMPIZMNTQGD-PTDFHQROSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N-O3.Cl-H

Molecular Weight

  • 393.9518
 
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Names and Synonyms

  • 4-Quinolinol, 1-(2-(3,4-dimethoxyphenyl)ethyl)-4-ethynyldecahydro-2-methyl-, hydrochloride, (2alpha,4beta,4abeta,8aalpha)-
  • 4-Quinolinol, decahydro-1-(2-(3,4-dimethoxyphenyl)ethyl)-4-ethynyl-2-methyl-, hydrochloride, (2-alpha,4-beta,4a-beta,8a-alpha)-

Registry Numbers

CAS Registry Number

  • 126356-27-2

System Generated Number

  • 0126356272

Molecular Formulas

Molecular Formula

  • C22-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31NO3.ClH/c1-5-22(24)15-16(2)23(19-9-7-6-8-18(19)22)13-12-17-10-11-20(25-3)21(14-17)26-4;/h1,10-11,14,16,18-19,24H,6-9,12-13,15H2,2-4H3;1H/t16-,18-,19-,22-;/m1./s1

InChIKey

NAZMMPIZMNTQGD-PTDFHQROSA-N

Smiles

C[C@@H]1C[C@@]([C@@H]2CCCC[C@H]2N1CCc3ccc(c(c3)OC)OC)(C#C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 245mg/kg (245mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Pharmaceutical Chemistry Journal Vol. 23, Pg. 648, 1989.
rat LD50 intraperitoneal 102mg/kg (102mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Pharmaceutical Chemistry Journal Vol. 23, Pg. 648, 1989.