Bicyclo[3.2.0]hept-3-ene-6-acetic acid, 6-(aminomethyl)-3-ethyl-, (1R,5S,6S)-, benzenesulfonate (1:1)

CAS Registry Number®

1138245-21-2
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CAS Name

Bicyclo[3.2.0]hept-3-ene-6-acetic acid, 6-(aminomethyl)-3-ethyl-, (1R,5S,6S)-, benzenesulfonate (1:1)

Molecular Formula

C12H19NO2.C6H6O3S

Cite this Page

Bicyclo[3.2.0]hept-3-ene-6-acetic acid, 6-(aminomethyl)-3-ethyl-, (1R,5S,6S)-, benzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1138245-21-2 (retrieved 2021-10-17) (CAS RN: 1138245-21-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H19NO2.C6H6O3S/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8;7-10(8,9)6-4-2-1-3-5-6/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15);1-5H,(H,7,8,9)/t9-,10-,12-;/m1./s1

InChIKey

InChIKey=OKJXJRVWXYRSAN-TXULWXBWSA-N

SMILES

S(=O)(=O)(O)C1=CC=CC=C1.C(C(O)=O)[C@]1(CN)[C@]2([C@@](C1)(CC(CC)=C2)[H])[H]

Canonical SMILES

O=C(O)CC1(CN)CC2CC(=CC21)CC.O=S(=O)(O)C=1C=CC=CC1

Other Names for this Substance

  • Bicyclo[3.2.0]hept-3-ene-6-acetic acid, 6-(aminomethyl)-3-ethyl-, (1R,5S,6S)-, benzenesulfonate (1:1)
  • DS 5565 besylate
  • Mirogabalin besylate