Amisulpride EP Impurity B

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CAT#:1596-AR-A01964-02Size:25 Units

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CAS Number

148516-54-5

Synonyms

4-amino-N- ((1-ethylpyrrolidin-2-yl) methyl) -5- (ethylsulfonyl) -2-hydroxybenzamide; Desmethyl Amisulpride

Molecular Formula

C16H25N3O4S

Molecular Weight

355.45

API Name

Amisulpride

Chemical Information

Amisulpride Impurity B

CAS Number	148516-54-5
PubChem CID	70650729
IUPAC Name	4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-hydroxybenzamide
Molecular Formula	C16H25N3O4S
Molecular Weight	355.5
XLogP	1.7
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	534

SMILES

CCN1CCCC1CNC(=O)C2=CC(=C(C=C2O)N)S(=O)(=O)CC

InChI

InChI=1S/C16H25N3O4S/c1-3-19-7-5-6-11(19)10-18-16(21)12-8-15(24(22,23)4-2)13(17)9-14(12)20/h8-9,11,20H,3-7,10,17H2,1-2H3,(H,18,21)

InChIKey

XBIBUXBARDPHCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148516-54-5

CID: 70650729

Formula: C16H25N3O4S

MW: 355.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.5
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	355.15657746
Monoisotopic Mass	355.15657746
Topological Polar Surface Area	121 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	534
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-S02089-01	Sulpiride EP Impurity A (Amisulpride EP Impurity A)
AR-A01968-01	Amisulpride EP Impurity C
AR-A01965-01	Amisulpride EP Impurity D
AR-A01960-01	Amisulpride EP Impurity G
AR-A04850-01	Amisulpride EP Impurity H
AR-A01958-01	Amisulpride EP Impurity H HCl
AR-A06303-01	Amisulpride EP Impurity H HCl
AR-A04856-01	Amisulpride EP Impurity G (S Isomer)
AR-A04857-01	Amisulpride EP Impurity H (R Isomer)
AR-A04853-01	Amisulpride EP Impurity C (S Isomer)