Amisulpride Impurity 6

CAT: 1596-AR-A06299-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-A06299-05Size:150

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CAS Number

1340546-20-4

Synonyms

4-amino-5- (ethylsulfonyl) -2-methoxybenzamide

Molecular Formula

C10H14N2O4S

Molecular Weight

258.29

API Name

Amisulpride

Chemical Information

4-Amino-5-(ethylsulfonyl)-2-methoxybenzamide

CAS Number	1340546-20-4
PubChem CID	20490503
IUPAC Name	4-amino-5-ethylsulfonyl-2-methoxybenzamide
Molecular Formula	C10H14N2O4S
Molecular Weight	258.30
XLogP	0.5
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	376

SMILES

CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N)OC)N

InChI

InChI=1S/C10H14N2O4S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H2,12,13)

InChIKey

LCUIMXDQQZOHJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1340546-20-4

CID: 20490503

Formula: C10H14N2O4S

MW: 258.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.30
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	258.06742811
Monoisotopic Mass	258.06742811
Topological Polar Surface Area	121 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	376
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes