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Substance Name: 4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, benzoate (ester), hydrochloride, (2-alpha,4-alpha,4a-beta,8a-alpha)-
RN: 110345-59-0
InChIKey: CYWZHNGATLWUHZ-BSUIWYASSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O2.Cl-H

Molecular Weight

  • 347.8834
 
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Names and Synonyms

  • 4-Quinolinol, 4-ethynyldecahydro-1,2-dimethyl-, benzoate (ester), hydrochloride, (2-alpha,4-alpha,4a-beta,8a-alpha)-

Registry Numbers

CAS Registry Number

  • 110345-59-0

System Generated Number

  • 0110345590

Molecular Formulas

Molecular Formula

  • C20-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25NO2.ClH/c1-4-20(23-19(22)16-10-6-5-7-11-16)14-15(2)21(3)18-13-9-8-12-17(18)20;/h1,5-7,10-11,15,17-18H,8-9,12-14H2,2-3H3;1H/t15-,17-,18-,20+;/m1./s1

InChIKey

CYWZHNGATLWUHZ-BSUIWYASSA-N

Smiles

C[C@@H]1C[C@]([C@@H]2CCCC[C@H]2N1C)(C#C)OC(=O)c3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 247, 1987.