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(R)-N-Methyl Amisulpride

CAT: 0572-TRC-M287325-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M287325-750MGSize:750 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2227154-28-9
Synonyms
N-[[(2R)-1-Ethyl-2-pyrrolidinyl]methyl]-5-(ethylsulfonyl)-2-methoxy-4-(methylamino)benzamide;
Hazard Statement
No Data Available
Smiles
CCN1[C@@H](CNC(C2=C(OC)C=C(NC)C(S(=O)(CC)=O)=C2)=O)CCC1
Molecular Formula
C18H29N3O4S
Molecular Weight
383.51
InChI
InChI=1S/C18H29N3O4S/c1-5-21-9-7-8-13(21)12-20-18(22)14-10-17(26(23,24)6-2)15(19-3)11-16(14)25-4/h10-11,13,19H,5-9,12H2,1-4H3,(H,20,22)/t13-/m1/s1
Additionnal Information
IUPAC name: (R)-N-((1-ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxy-4-(methylamino)benzamide

Chemical Information

(R)-N-Methyl Amisulpride
CAS Number2227154-28-9
PubChem CID135390896
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxy-4-(methylamino)benzamide
Molecular FormulaC18H29N3O4S
Molecular Weight383.5
XLogP2.1
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity563
SMILES
CCN1CCC[C@@H]1CNC(=O)C2=CC(=C(C=C2OC)NC)S(=O)(=O)CC
InChI
InChI=1S/C18H29N3O4S/c1-5-21-9-7-8-13(21)12-20-18(22)14-10-17(26(23,24)6-2)15(19-3)11-16(14)25-4/h10-11,13,19H,5-9,12H2,1-4H3,(H,20,22)/t13-/m1/s1
InChIKey
NXKXZXNNWRYXRE-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of (R)-N-Methyl Amisulpride
CAS: 2227154-28-9
CID: 135390896
Formula: C18H29N3O4S
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass383.18787759
Monoisotopic Mass383.18787759
Topological Polar Surface Area96.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity563
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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Alternative Products

CatalogName
sc-484461N-Methyl Amisulpride
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sc-484464N-Methyl Amisulpride-d3
AR-A01959-01N-Methyl-d3 Amisulpride
AR-A04855-01Amisulpride N-Oxide (R Isomer)
002611Amisulpride N-Oxide
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AR-A04852-01Amisulpride EP Impurity B (R Isomer)
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