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Substance Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-m-dioxan-2-yl)propyl)-3-methyl-1-phenyl-
RN: 102504-82-5
InChIKey: GWHRFLWYZCVADI-UHFFFAOYSA-N

Molecular Formula

  • C27-H34-F-N3-O3

Molecular Weight

  • 467.5816
 
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Names and Synonyms

Synonyms

  • 5-26-04-00115 (Beilstein Handbook Reference)
  • BRN 0597786

Systematic Name

  • 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-m-dioxan-2-yl)propyl)-3-methyl-1-phenyl-

Registry Numbers

CAS Registry Number

  • 102504-82-5

System Generated Number

  • 0102504825

Structure Descriptors

InChI

1S/C27H34FN3O3/c1-29-21-31(24-7-3-2-4-8-24)26(25(29)32)14-17-30(18-15-26)16-5-13-27(33-19-6-20-34-27)22-9-11-23(28)12-10-22/h2-4,7-12H,5-6,13-21H2,1H3

InChIKey

GWHRFLWYZCVADI-UHFFFAOYSA-N

Smiles

CN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCCO3)c4ccc(cc4)F)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11765,