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Substance Name: 4-Quinolinol, decahydro-4-ethynyl-2-methyl-1-pentyl-, benzoate (ester), hydrochloride, (2-alpha,4-alpha,4a-alpha,8a-beta)-
RN: 110370-47-3
InChIKey: UVIJXEQDSKFWGT-LDHZIZRASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H38-N-O2.Cl-H

Molecular Weight

  • 403.9906
 
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Names and Synonyms

  • 4-Quinolinol, decahydro-4-ethynyl-2-methyl-1-pentyl-, benzoate (ester), hydrochloride, (2-alpha,4-alpha,4a-alpha,8a-beta)-

Registry Numbers

CAS Registry Number

  • 110370-47-3

System Generated Number

  • 0110370473

Molecular Formulas

Molecular Formula

  • C24-H38-N-O2.Cl-H

Molecular Formula Fragments

  • C24-H38-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H33NO2.ClH/c1-4-6-12-17-25-19(3)18-24(5-2,21-15-10-11-16-22(21)25)27-23(26)20-13-8-7-9-14-20;/h2,7-9,13-14,19,21-22H,4,6,10-12,15-18H2,1,3H3;1H/t19-,21+,22+,24+;/m1./s1

InChIKey

UVIJXEQDSKFWGT-LDHZIZRASA-N

Smiles

CCCCCN1[C@@H](C[C@]([C@@H]2[C@@H]1CCCC2)(C#C)OC(=O)c3ccccc3)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 488mg/kg (488mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 247, 1987.
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 247, 1987.