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Substance Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 3-allyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-
RN: 54161-59-0
InChIKey: PHMKECRSIVMICN-UHFFFAOYSA-N

Molecular Formula

  • C28-H34-F-N3-O3

Molecular Weight

  • 479.5926
 
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Names and Synonyms

Synonyms

  • 5-26-04-00115 (Beilstein Handbook Reference)
  • BRN 0597625

Systematic Name

  • 1,3,8-Triazaspiro(4.5)decan-4-one, 3-allyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-

Registry Numbers

CAS Registry Number

  • 54161-59-0

System Generated Number

  • 0054161590

Structure Descriptors

InChI

1S/C28H34FN3O3/c1-2-16-31-22-32(25-7-4-3-5-8-25)27(26(31)33)14-18-30(19-15-27)17-6-13-28(34-20-21-35-28)23-9-11-24(29)12-10-23/h2-5,7-12H,1,6,13-22H2

InChIKey

PHMKECRSIVMICN-UHFFFAOYSA-N

Smiles

C=CCN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)c4ccc(cc4)F)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 133mg/kg (133mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11757,