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(S) -Amisulpride

CAT: 0931-T26375-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T26375-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71675-92-8
Target
Dopamine Receptor, 5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9838
Bioactivity
(S) -Amisulpride ((S) Amisulpride) (Esamisulpride) is a potent dopamine D2/D3 receptor antagonist. (S) -Amisulpride is an antagonist at the 5-HT7 receptor with a Ki of 900 nM. (S) -Amisulpride has antipsychotic and antidepressant effects.
Smiles
CCN1CCC[C@H]1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Molecular Formula
C17H27N3O4S
Molecular Weight
369.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S-(-)-Amisulpride
CAS Number71675-92-8
PubChem CID3055076
IUPAC Name4-amino-N-[[(2S)-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
CCN1CCC[C@H]1CNC(=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)/t12-/m0/s1
InChIKey
NTJOBXMMWNYJFB-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of S-(-)-Amisulpride
CAS: 71675-92-8
CID: 3055076
Formula: C17H27N3O4S
MW: 369.5
Interactive 3D Structure
Loading 3D structure...
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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