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Substance Name: 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate
RN: 54286-39-4
InChIKey: VQEOKXGKUMDDIL-WLHGVMLRSA-N

Molecular Formula

  • C25-H32-N4-O4-S.C4-H4-O4

Molecular Weight

  • 612.6513
 
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Names and Synonyms

  • 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N-methyl-8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-4-oxo-1-phenyl-, fumarate

Registry Numbers

CAS Registry Number

  • 54286-39-4

System Generated Number

  • 0054286394

Molecular Formulas

Molecular Formula

  • C25-H32-N4-O4-S.C4-H4-O4

Molecular Formula Fragments

  • C25-H32-N4-O4-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H33FN4O4.C4H4O4/c1-29-25(34)31-20-32(23-6-3-2-4-7-23)26(24(31)33)13-16-30(17-14-26)15-5-12-27(35-18-19-36-27)21-8-10-22(28)11-9-21;5-3(6)1-2-4(7)8/h2-4,6-11H,5,12-20H2,1H3,(H,29,34);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VQEOKXGKUMDDIL-WLHGVMLRSA-N

Smiles

CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)c4ccc(cc4)F)c5ccccc5.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11908,