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Substance Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-allyl-8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-
RN: 102395-40-4
InChIKey: YKIVISKPJCKOLP-UHFFFAOYSA-N

Molecular Formula

  • C26-H30-F-N3-O2

Molecular Weight

  • 435.54
 
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Names and Synonyms

Synonyms

  • 1,3,8-Triazaspiro(4,5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-3-(2-propenyl)-
  • 3-Allyl-8-(3-(4-fluorobenzoyl)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane
  • 3-Allyl-8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
  • BRN 4599095

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102395-40-4

System Generated Number

  • 0102395404

Structure Descriptors

InChI

1S/C26H30FN3O2/c1-2-16-29-20-30(23-7-4-3-5-8-23)26(25(29)32)14-18-28(19-15-26)17-6-9-24(31)21-10-12-22(27)13-11-21/h2-5,7-8,10-13H,1,6,9,14-20H2

InChIKey

YKIVISKPJCKOLP-UHFFFAOYSA-N

Smiles

C=CCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)c3ccc(cc3)F)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11774,