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Substance Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-acetyl-8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-, hydrochloride
RN: 1060-33-9
InChIKey: QXQILOBXPGMTAR-UHFFFAOYSA-N

Molecular Formula

  • C25-H28-F-N3-O3.Cl-H

Molecular Weight

  • 473.9731
 
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Names and Synonyms

Synonym

  • 3-Acetyl-8-(4-(4-fluorophenyl)-4-oxobutyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane HCl

Systematic Name

  • 1,3,8-Triazaspiro(4.5)decan-4-one, 3-acetyl-8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1060-33-9

System Generated Number

  • 0001060339

Molecular Formulas

Molecular Formula

  • C25-H28-F-N3-O3.Cl-H

Molecular Formula Fragments

  • C25-H28-F-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H28FN3O3.ClH/c1-19(30)28-18-29(22-6-3-2-4-7-22)25(24(28)32)13-16-27(17-14-25)15-5-8-23(31)20-9-11-21(26)12-10-20;/h2-4,6-7,9-12H,5,8,13-18H2,1H3;1H

InChIKey

QXQILOBXPGMTAR-UHFFFAOYSA-N

Smiles

CC(=O)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 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11227,