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Substance Name: Quadazocine mesylate [USAN]
RN: 71276-44-3
UNII: 582SS143QX
InChIKey: OKLHDYDHKBFXCK-HIYIHDMKSA-N

Classification Code

  • Antagonist (Opioid)

Molecular Formula

  • C25-H37-N-O2 X C-H4-O3-S

Molecular Weight

  • 479.6779
 
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Names and Synonyms

Name of Substance

  • Quadazocine mesylate [USAN]

Synonyms

  • (-)-(2R,6S,11S)-1-Cyclopentyl-5-(1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl)-3-pentanone methanesulfonate (salt)
  • 3-Pentanone, 1-cyclopentyl-5-(1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl)-, (2R-(2alpha,6alpha,11S*))-, methanesulfonate (salt)
  • Quadazocine mesylate
  • UNII-582SS143QX
  • Win 44,441-3

Systematic Name

  • 3-Pentanone, 1-cyclopentyl-5-(1,2,3,4,5,6-hexanhydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl)-, (2R-(2alpha,6alpha,11S*))-, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 71276-44-3

FDA UNII

  • 582SS143QX

System Generated Number

  • 0071276443

Molecular Formulas

Molecular Formula

  • C25-H37-N-O2 X C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C25-H37-N-O2

Structure Descriptors

InChI

1S/C25H37NO2.CH4O3S/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18;1-5(2,3)4/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3;1H3,(H,2,3,4)/t23-,24+,25-;/m1./s1

InChIKey

OKLHDYDHKBFXCK-HIYIHDMKSA-N

Smiles

CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@]2(C)CCC(=O)CCC4CCCC4.CS(=O)(=O)O