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Substance Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(1-methylpropyl)-1-phenyl-, monohydrochloride
RN: 102395-53-9
InChIKey: YWLLNDLWZAXFHQ-UHFFFAOYSA-N

Molecular Formula

  • C27-H34-F-N3-O2.Cl-H

Molecular Weight

  • 488.0435
 
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Names and Synonyms

Synonym

  • 8-(p-Fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane HCl

Systematic Name

  • 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(1-methylpropyl)-1-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 102395-53-9

System Generated Number

  • 0102395539

Molecular Formulas

Molecular Formula

  • C27-H34-F-N3-O2.Cl-H

Molecular Formula Fragments

  • C27-H34-F-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H34FN3O2.ClH/c1-3-21(2)30-20-31(24-8-5-4-6-9-24)27(26(30)33)15-18-29(19-16-27)17-7-10-25(32)22-11-13-23(28)14-12-22;/h4-6,8-9,11-14,21H,3,7,10,15-20H2,1-2H3;1H

InChIKey

YWLLNDLWZAXFHQ-UHFFFAOYSA-N

Smiles

CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)c3ccc(cc3)F)c4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11587,