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Amisulpride

CAT: 0926-FA17868-02Size: 1 gDry Ice: NoHazardous: No
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CAS Number
71675-85-9
Synonyms
4-Amino-N-[ (1-ethyl-2-pyrrolidinyl) methyl]-5- (ethylsulfonyl) -2-methoxybenzamide; Aminosultopride; DAN-2163
MDL Number
MFCD00866691
Smiles
CCN1CCCC1CNC (=O) C2=CC (=C (C=C2OC) N) S (=O) (=O) CC
Molecular Formula
C17H27N3O4S
Molecular Weight
369.48 g/mol
Controlled
No

Chemical Information

Amisulpride

Amisulpride is a member of the class of benzamides resulting from the formal condensation of the carboxy group of 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid with the primary amino group of 2-(aminomethyl)-1-ethylpyrrolidine. It is a potent, selective dopamine D2 and D3 receptor antagonist. It is an atypical antipsychotic/antischizophrenic agent with limited extrapyrimidal side effects. It has a role as a xenobiotic, a second generation antipsychotic and an environmental contaminant. It is a member of benzamides, an aromatic amine, a sulfone, a member of pyrrolidines and an aromatic amide.

CAS Number71675-85-9
PubChem CID2159
IUPAC Name4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
Molecular FormulaC17H27N3O4S
Molecular Weight369.5
XLogP1.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity549
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
InChI
InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
InChIKey
NTJOBXMMWNYJFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amisulpride
CAS: 71675-85-9
CID: 2159
Formula: C17H27N3O4S
MW: 369.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.5
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass369.17222752
Monoisotopic Mass369.17222752
Topological Polar Surface Area110 Ų
Heavy Atom Count25
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-203510Amisulpride

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