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Substance Name: LY 88329
RN: 78693-86-4
InChIKey: VWAVTWSXSHVXCD-MZEZKJHUSA-N

Molecular Formula

  • C22-H27-N-O2.C4-H4-O4

Molecular Weight

  • 439.5051
 
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Names and Synonyms

Name of Substance

  • LY 88329

Synonym

  • LY-88329

Systematic Name

  • 1-Propanone, 3-(4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)-1-phenyl-, cis-(+-)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 78693-86-4

System Generated Number

  • 0078693864

Molecular Formulas

Molecular Formula

  • C22-H27-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C22-H27-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NO2.C4H4O4/c1-16-15-22(13-11-21(24)17-6-3-2-4-7-17)12-10-20(16)18-8-5-9-19(23)14-18;5-3(6)1-2-4(7)8/h2-9,14,16,20,23H,10-13,15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,20+;/m1./s1

InChIKey

VWAVTWSXSHVXCD-MZEZKJHUSA-N

Smiles

C[C@@H]1CN(CC[C@@H]1c2cccc(c2)O)CCC(=O)c3ccccc3.C(=C\C(=O)O)\C(=O)O