Scopolamine nonylmethansulfonate
Molecular Formula:
C27H43NO8S
InChI: InChI=1/C26H40NO4.CH4O4S/c1-3-4-5-6-7-8-12-15-27(2)22-16-20(17-23(27)25-24(22)31-25)30-26(29)21(18-28)19-13-10-9-11-14-19;1-5-6(2,3)4/h9-11,13-14,20-25,28H,3-8,12,15-18H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t20?,21u,22-,23-,24-,25+,27?;/m0./s1/fC26H40NO4.CH3O4S/qm;-1
InChIKey: InChIKey=INLOIZVVZYDZCP-SAQCGERHDF
SMILES: CCCCCCCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.COS(=O)(=O)[O-]
Names:
Scopolamine nonylmethansulfonate
19032-53-2
3-Oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-9-nonyl-, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-, methyl sulfate (salt)
Registries:
PubChem CID 64666
PubChem ID 206596
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