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Substance Name: 1,3-Dioxa-8-azaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-, (Z)-2-butenedioate (1:1)
RN: 134070-03-4
InChIKey: VHYOOICHOGZSMZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-F2-N-O3.C4-H4-O4

Molecular Weight

  • 529.5331
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 134070-03-4

System Generated Number

  • 0134070034

Molecular Formulas

Molecular Formula

  • C24-H25-F2-N-O3.C4-H4-O4

Molecular Formula Fragments

  • C24-H25-F2-N-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H25F2NO3.C4H4O4/c1-17-24(30-23(28)29-17)12-15-27(16-13-24)14-2-3-22(18-4-8-20(25)9-5-18)19-6-10-21(26)11-7-19;5-3(6)1-2-4(7)8/h4-11,22H,1-3,12-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VHYOOICHOGZSMZ-WLHGVMLRSA-N

Smiles

C=C1C2(CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F)OC(=O)O1.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,