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Substance Name: 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-heptyl-4-methylene-, (Z)-2-butenedioate (1:1)
RN: 134069-95-7
InChIKey: TVXXUJBHISFOOF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H40-F2-N2-O2.C4-H4-O4

Molecular Weight

  • 626.7366
 
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Names and Synonyms

  • 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-3-heptyl-4-methylene-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 134069-95-7

System Generated Number

  • 0134069957

Molecular Formulas

Molecular Formula

  • C31-H40-F2-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C31-H40-F2-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C31H40F2N2O2.C4H4O4/c1-4-6-8-28(5-2)35-23(3)31(37-30(35)36)18-21-34(22-19-31)20-7-9-29(24-10-14-26(32)15-11-24)25-12-16-27(33)17-13-25;5-3(6)1-2-4(7)8/h10-17,28-29H,3-9,18-22H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

TVXXUJBHISFOOF-WLHGVMLRSA-N

Smiles

CCCCC(CC)N1C(=C)C2(CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)OC1=O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5118687,