3-Pentanone, 1-cyclopentyl-5-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-, methanesulfonate (1:1)

CAS Registry Number®

71276-44-3

CAS Name

3-Pentanone, 1-cyclopentyl-5-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-, methanesulfonate (1:1)

Molecular Formula

C25H37NO2.CH4O3S

Cite this Page

3-Pentanone, 1-cyclopentyl-5-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-, methanesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71276-44-3 (retrieved 2024-11-22) (CAS RN: 71276-44-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=OKLHDYDHKBFXCK-HIYIHDMKSA-N

SMILES

C[C@@]12[C@@](CCC(CCC3CCCC3)=O)(C)[C@@](CC=4C1=CC(O)=CC4)(N(C)CC2)[H].S(C)(=O)(=O)O

Canonical SMILES

O=C(CCC1CCCC1)CCC2(C)C3N(C)CCC2(C4=CC(O)=CC=C4C3)C.O=S(=O)(O)C

Other Names for this Substance

  • 3-Pentanone, 1-cyclopentyl-5-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-, methanesulfonate (1:1)
  • 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-(2α,6α,11S*)]-, methanesulfonate (salt)
  • 3-Pentanone, 1-cyclopentyl-5-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-, methanesulfonate (salt)
  • Win 44441-3
  • Quadazocine mesylate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration