Butanoic acid, 2-(phenylthio)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ethanedioate (1:1)
CAS Registry Number®
155059-55-5
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CAS Name
Butanoic acid, 2-(phenylthio)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ethanedioate (1:1)Molecular Formula
C18H25NO2S.C2H2O4Cite this Page
Butanoic acid, 2-(phenylthio)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ethanedioate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=155059-55-5 (retrieved ) (CAS RN: 155059-55-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C18H25NO2S.C2H2O4/c1-3-17(22-16-7-5-4-6-8-16)18(20)21-15-11-13-9-10-14(12-15)19(13)2;3-1(4)2(5)6/h4-8,13-15,17H,3,9-12H2,1-2H3;(H,3,4)(H,5,6)/t13-,14+,15+,17?;
InChIKey
InChIKey=DBBVWGGNICLTMF-PPUXJDFUNA-N
SMILES
CN1[C@]2(C[C@H](OC(C(SC3=CC=CC=C3)CC)=O)C[C@@]1(CC2)[H])[H].C(C(O)=O)(O)=O
Canonical SMILES
O=C(O)C(=O)O.O=C(OC1CC2N(C)C(CC2)C1)C(SC=3C=CC=CC3)CC
Other Names for this Substance
- Butanoic acid, 2-(phenylthio)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ethanedioate (1:1)
- Butanoic acid, 2-(phenylthio)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(±)-, ethanedioate (1:1)
- SM 32
- Butanoic acid, 2-(phenylthio)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-, ethanedioate (1:1)
