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Substance Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride
RN: 102504-72-3
InChIKey: MDZFKPNXDLGZKN-UHFFFAOYSA-N

Molecular Formula

  • C24-H29-F-N3-O-S.Cl-H

Molecular Weight

  • 464.0459
 
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Names and Synonyms

Synonym

  • 3-Ethyl-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, 3-ethyl-8-(3-((4-fluorophenyl)thio)propyl)-1-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 102504-72-3

System Generated Number

  • 0102504723

Molecular Formulas

Molecular Formula

  • C24-H29-F-N3-O-S.Cl-H

Molecular Formula Fragments

  • C24-H29-F-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30FN3OS.ClH/c1-2-27-19-28(21-7-4-3-5-8-21)24(23(27)29)13-16-26(17-14-24)15-6-18-30-22-11-9-20(25)10-12-22;/h3-5,7-12H,2,6,13-19H2,1H3;1H

InChIKey

MDZFKPNXDLGZKN-UHFFFAOYSA-N

Smiles

CCN1CN(C2(C1=O)CCN(CC2)CCCSc3ccc(cc3)F)c4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11726,