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Tematropium methylsulfate
[CAS# 113932-41-5]

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CAS#: 113932-41-5
Product: Tematropium methylsulfate
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Identification
Name Tematropium methylsulfate
Synonyms Methyl Sulfate; 2-Phenylpropanedioic Acid (8,8-Dimethyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester Ethyl Ester; Methyl Sulfate; 2-Phenylmalonic Acid (8,8-Dimethyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester Ethyl Ester; Tematropium Methylsulfate
Molecular Structure CAS#: 113932-41-5, Tematropium methylsulfate
Molecular Formula C21H31NO8S
Molecular Weight 457.54
CAS Registry Number 113932-41-5
SMILES C1=CC=CC=C1C(C(OC2CC3[N+](C)(C)C(C2)CC3)=O)C(OCC)=O.CO[S](=O)(=O)[O-]
InChI 1S/C20H28NO4.CH4O4S/c1-4-24-19(22)18(14-8-6-5-7-9-14)20(23)25-17-12-15-10-11-16(13-17)21(15,2)3;1-5-6(2,3)4/h5-9,15-18H,4,10-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey YLMCBOIUJONUGH-UHFFFAOYSA-M
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