Amisulpride N-oxide

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Systematic / IUPAC Name: 4-Amino-N-[(1-ethyl-1-oxido-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide

ID: Reference3083

Other Names: 4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide N-oxide;
Benzamide, 4-amino-N-[(1-ethyl-1-oxido-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-

Formula: C17H27N3O5S

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Amisulpride N-oxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 134
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/10/2015 12:32:10 PM
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Identificators

InChI InChI=1S/C17H27N3O5S/c1-4-20(22)8-6-7-12(20)11-19-17(21)13-9-16(26(23,24)5-2)14(18)10-15(13)25-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
InChI Key LLIKIPAUZJTRGB-UHFFFAOYSA-N
Canonical SMILES CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC)[O-]
CAS 71676012
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Other Names 4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide N-oxide;
Benzamide, 4-amino-N-[(1-ethyl-1-oxido-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-

In Other Databases

ChemSpider 29787171
PubChem 71313372