Amisulpride EP Impurity C

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CAT#:1596-AR-A01968-02Size:250 Units

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CAS Number

176849-91-5

Synonyms

4-amino-N- ((1-ethylpyrrolidin-2-yl) methyl) -5-iodo-2-methoxybenzamide

Molecular Formula

C15H22IN3O2

Molecular Weight

403.26

API Name

Amisulpride

Chemical Information

Amisulpride EP impurity C

CAS Number	176849-91-5
PubChem CID	10250560
IUPAC Name	4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2-methoxybenzamide
Molecular Formula	C15H22IN3O2
Molecular Weight	403.26
XLogP	2
Topological Polar Surface Area	67.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	356

SMILES

CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)I

InChI

InChI=1S/C15H22IN3O2/c1-3-19-6-4-5-10(19)9-18-15(20)11-7-12(16)13(17)8-14(11)21-2/h7-8,10H,3-6,9,17H2,1-2H3,(H,18,20)

InChIKey

RYQXFWDVKMXKTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 176849-91-5

CID: 10250560

Formula: C15H22IN3O2

MW: 403.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	403.26
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	403.07567
Monoisotopic Mass	403.07567
Topological Polar Surface Area	67.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	356
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-A01965-01	Amisulpride EP Impurity D
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-A01966-01	Amisulpride Impurity C
AR-A04856-01	Amisulpride EP Impurity G (S Isomer)
AR-A04852-01	Amisulpride EP Impurity B (R Isomer)