Amisulpride EP Impurity D

CAT: 1596-AR-A01965-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A01965-02Size:25 Units

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CAS Number

71676-00-1

Synonyms

4-amino-N- ((1-ethylpyrrolidin-2-yl) methyl) -2-methoxy-5- (methylsulfonyl) benzamide; S-Desethyl S-Methyl Amisulpride

Molecular Formula

C16H25N3O4S

Molecular Weight

355.46

API Name

Amisulpride

Chemical Information

4-Amino-N-((1-ethylpyrrolidin-2-yl)methyl)-5-(methanesulfonyl)-2-methoxybenzene-1-carboximidic acid

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CAS Number	71676-00-1
PubChem CID	3054716
IUPAC Name	4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-methylsulfonylbenzamide
Molecular Formula	C16H25N3O4S
Molecular Weight	355.5
XLogP	1.1
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
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=C2OC)N)S(=O)(=O)C

InChI

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

InChIKey

SZQIUFIQZCNHHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71676-00-1

CID: 3054716

Formula: C16H25N3O4S

MW: 355.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	355.5
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	355.15657746
Monoisotopic Mass	355.15657746
Topological Polar Surface Area	110 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-A01960-01	Amisulpride EP Impurity G
AR-A04850-01	Amisulpride EP Impurity H
AR-A01964-01	Amisulpride EP Impurity B
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-A04852-01	Amisulpride EP Impurity B (R Isomer)
AR-A04857-01	Amisulpride EP Impurity H (R Isomer)