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Sulpiride N-oxide

CAT: 0572-TRC-A628550-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A628550-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2214214-03-4
Synonyms
Sulpiride Imp. F (EP); 1-Ethyl-2-[[(2-methoxy-5-sulphamoylbenzoyl)amino]methyl]pyrrolidine 1-Oxide; Sulpiride N-Oxide; Sulpiride Impurity F
Hazard Statement
May cause an allergic skin reaction
Purity
>95% (HPLC)
Smiles
CC[N+]1([O-])CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
Molecular Formula
C15 H23 N3 O5 S
Molecular Weight
357.43
InChI
InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
Additionnal Information
IUPAC name: N-[(1-ethyl-1-oxidopyrrolidin-1-ium-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-1-oxido-2-pyrrolidinyl)methyl)-2-methoxy-
CAS Number2214214-03-4
PubChem CID129318352
IUPAC NameN-[(1-ethyl-1-oxidopyrrolidin-1-ium-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Molecular FormulaC15H23N3O5S
Molecular Weight357.4
XLogP0.7
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity550
SMILES
CC[N+]1(CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC)[O-]
InChI
InChI=1S/C15H23N3O5S/c1-3-18(20)8-4-5-11(18)10-17-15(19)13-9-12(24(16,21)22)6-7-14(13)23-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,21,22)
InChIKey
GODSKNGSDVZJGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-1-oxido-2-pyrrolidinyl)methyl)-2-methoxy-
CAS: 2214214-03-4
CID: 129318352
Formula: C15H23N3O5S
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass357.13584202
Monoisotopic Mass357.13584202
Topological Polar Surface Area125 Ų
Heavy Atom Count24
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-S02094-01Sulpiride EP Impurity F (Sulpiride N-Oxide)
CS-O-46403N-Nitroso Sulpiride
217769S-Sulpiride (S- (-) -5-Aminosulfonyl-N-[ (1-ethyl­-2-pyrrolidinyl) methyl]-2-methoxybenzamide, D2-like Dopamine Antagonist, S-Sulpiride, Sulpiride)
318781Sulpiride
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