Lobeline sulfate

CAS Registry Number®

134-64-5
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CAS Name

Lobeline sulfate

Molecular Formula

C22H27NO2.1/2H2O4S

Cite this Page

Lobeline sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=134-64-5 (retrieved 2024-05-02) (CAS RN: 134-64-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27NO2.H2O4S/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;1-5(2,3)4/h2-7,9-12,19-21,24H,8,13-16H2,1H3;(H2,1,2,3,4)/t19-,20+,21-;/m0./s1

InChIKey

InChIKey=BEDBXOIWRNCGAU-NFQNBQCWSA-N

SMILES

S(=O)(=O)(O)O.C([C@H](O)C1=CC=CC=C1)[C@H]2N(C)[C@@H](CC(=O)C3=CC=CC=C3)CCC2

Canonical SMILES

O=C(C=1C=CC=CC1)CC2N(C)C(CCC2)CC(O)C=3C=CC=CC3.O=S(=O)(O)O

Other Names for this Substance

  • Ethanone, 2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenyl-, sulfate (2:1)
  • Lobeline, sulfate (2:1) (salt)
  • Ethanone, 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenyl-, [2R-[2α,6α(S*)]]-, sulfate (2:1) (salt)
  • Ethanone, 2-[(2R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenyl-, sulfate (2:1) (salt)
  • Bantron

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