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Substance Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-3-sec-butyl-1-phenyl-, hydrochloride
RN: 102517-24-8
InChIKey: WZBOIJSQUUPANG-UHFFFAOYSA-N

Molecular Formula

  • C26-H34-F-N3-O-S.Cl-H

Molecular Weight

  • 492.0995
 
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Names and Synonyms

Synonym

  • 3-(2-Butyl)-8-(3-(4-fluorophenylthio)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane HCl

Systematic Name

  • 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-3-sec-butyl-1-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 102517-24-8

System Generated Number

  • 0102517248

Molecular Formulas

Molecular Formula

  • C26-H34-F-N3-O-S.Cl-H

Molecular Formula Fragments

  • C26-H34-F-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H34FN3OS.ClH/c1-3-21(2)29-20-30(23-8-5-4-6-9-23)26(25(29)31)14-17-28(18-15-26)16-7-19-32-24-12-10-22(27)11-13-24;/h4-6,8-13,21H,3,7,14-20H2,1-2H3;1H

InChIKey

WZBOIJSQUUPANG-UHFFFAOYSA-N

Smiles

CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCSc3ccc(cc3)F)c4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11739,