Aripiprazole Nitroso Impurity 62

CAT: 1299-RM-A181662-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A181662-01Size:10 mg

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CAS Number

2989508-28-1

Synonyms

1- (2,3-dichlorophenyl) -4-nitrosopiperazine

Molecular Formula

C10H11Cl2N3O

Molecular Weight

260.12

Target Alternative Name

Aripiprazole

Product Name Synonym

1- (2,3-dichlorophenyl) -4-nitrosopiperazine

Chemical Information

1-(2,3-Dichlorophenyl)-4-nitrosopiperazine

CAS Number	2989508-28-1
PubChem CID	165605069
IUPAC Name	1-(2,3-dichlorophenyl)-4-nitrosopiperazine
Molecular Formula	C10H11Cl2N3O
Molecular Weight	260.12
XLogP	3
Topological Polar Surface Area	35.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	246

SMILES

C1CN(CCN1C2=C(C(=CC=C2)Cl)Cl)N=O

InChI

InChI=1S/C10H11Cl2N3O/c11-8-2-1-3-9(10(8)12)14-4-6-15(13-16)7-5-14/h1-3H,4-7H2

InChIKey

IBXYJRGCUQRECX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2989508-28-1

CID: 165605069

Formula: C10H11Cl2N3O

MW: 260.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.12
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	259.0279174
Monoisotopic Mass	259.0279174
Topological Polar Surface Area	35.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	246
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

Catalog	Name
RM-L010262-01	Labetalol Nitroso Impurity 62
RM-B191662-01	Bisoprolol Nitroso Impurity 62
RM-M161862-01	Metoprolol Nitroso Impurity 62
RM-H042462-01	Hydroxychloroquine Sulfate Nitroso Impurity 62
RM-A181654-01	N-Nitroso Aripiprazole
RM-A181624-01	Aripiprazole Impurity 24
RM-A181621-01	Aripiprazole Impurity 21
RM-A181620-01	Aripiprazole Impurity 20
RM-A181619-01	Aripiprazole Impurity 19
RM-A181671-01	Aripiprazole Impurity 71

Catalog	Name
AR-A07102-01	Aripiprazole Nitroso Impurity
CS-O-58424	Aripiprazole Nitroso Impurity 2
CS-O-58425	Aripiprazole Nitroso Impurity 3
CS-O-52731	N-Nitroso Aripiprazole Indanone Impurity
CS-O-57376	N-Nitroso Aripiprazole EP Impurity F
CS-O-39271	N-Nitroso Aripiprazole EP Impurity B
AR-A07104-01	N-Nitroso Aripiprazole EP Impurity B (N-Nitroso Aripiprazole USP Related Compound C (Free Form) )
AR-A07099-01	N-Nitroso Aripiprazole EP Impurity B-d8 (N-Nitroso Aripiprazole USP Related Compound C-d8 (Free Form) )
CS-EO-02624	N-Nitroso Aripiprazole
AR-A02528-01	Aripiprazole Impurity