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

CAS Registry Number®

74559-85-6
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CAS Name

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

Molecular Formula

C23H35NO2.CH4O3S

Cite this Page

3-Heptanone, 1-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-6-methyl-, rel-, methanesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74559-85-6 (retrieved 2022-08-17) (CAS RN: 74559-85-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C23H35NO2.CH4O3S/c1-16(2)6-8-18(25)10-11-23(4)21-14-17-7-9-19(26)15-20(17)22(23,3)12-13-24(21)5;1-5(2,3)4/h7,9,15-16,21,26H,6,8,10-14H2,1-5H3;1H3,(H,2,3,4)/t21-,22+,23-;/s2

InChIKey

InChIKey=GLJVRAXBUACXBP-FZYYRQOWNA-N

SMILES

S(C)(=O)(=O)O.C[C@@]12[C@@](CCC(CCC(C)C)=O)(C)[C@@H](CC=3C1=CC(O)=CC3)N(C)CC2

Canonical SMILES

O=C(CCC(C)C)CCC1(C)C2N(C)CCC1(C3=CC(O)=CC=C3C2)C.O=S(=O)(O)C

Other Names for this Substance

  • 3-Heptanone, 1-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-6-methyl-, rel-, methanesulfonate (1:1)
  • 3-Heptanone, 1-(1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl)-6-methyl-, (2α,6α,11S*)-, methanesulfonate (salt)
  • 3-Heptanone, 1-[(2R,6S,11S)-1,2,3,4,5,6-hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocin-11-yl]-6-methyl-, rel-, methanesulfonate (salt)
  • 2,6-Methano-3-benzazocine, 3-heptanone deriv.
  • NIH 9625

Deleted or Replaced CAS Registry Numbers

71115-71-4