Amisulpride hydrochloride 10mg

CAT: 0628-A21994-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A21994-10Size:10 mg

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CAS Number

81342-13-4

Chemical Information

Amisulpride hydrochloride

CAS Number	81342-13-4
PubChem CID	10046897
IUPAC Name	4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydrochloride
Molecular Formula	C17H28ClN3O4S
Molecular Weight	405.9
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	549

SMILES

CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC.Cl

InChI

InChI=1S/C17H27N3O4S.ClH/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);1H

InChIKey

XFOYXFDTUMXXFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81342-13-4

CID: 10046897

Formula: C17H28ClN3O4S

MW: 405.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	405.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	405.1489053
Monoisotopic Mass	405.1489053
Topological Polar Surface Area	110 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	549
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	2
Compound Is Canonicalized	Yes

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