Ziprasidone Impurity B

CAT: 1596-AR-Z01088-01Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Z01088-01Size:100 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1159977-56-6

Synonyms

5- (2- (4- (benzo[d]isothiazol-3-yl) piperazin-1-yl) ethyl) -6-chloroindoline-2,3-dione;3-OXO ZIPRASIDONE; Ziprasidone Related Compound B

Molecular Formula

C21H19ClN4O2S

Molecular Weight

426.93

API Name

Ziprasidone

Chemical Information

3-Oxo ziprasidone

CAS Number	1159977-56-6
PubChem CID	46782656
IUPAC Name	5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1H-indole-2,3-dione
Molecular Formula	C21H19ClN4O2S
Molecular Weight	426.9
XLogP	4
Topological Polar Surface Area	93.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	644

SMILES

C1CN(CCN1CCC2=CC3=C(C=C2Cl)NC(=O)C3=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C21H19ClN4O2S/c22-16-12-17-15(19(27)21(28)23-17)11-13(16)5-6-25-7-9-26(10-8-25)20-14-3-1-2-4-18(14)29-24-20/h1-4,11-12H,5-10H2,(H,23,27,28)

InChIKey

VWHQRPYTDLERQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1159977-56-6

CID: 46782656

Formula: C21H19ClN4O2S

MW: 426.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.9
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	426.0917247
Monoisotopic Mass	426.0917247
Topological Polar Surface Area	93.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	644
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
AR-Z01228-01	Ziprasidone Impurity A
AR-Z01089-01	Ziprasidone Impurity
AR-Z01361-01	Ziprasidone Keto Impurity
AR-Z01358-01	Ziprasidone Impurity 18
AR-Z01086-01	Ziprasidone Impurity F
AR-Z01362-01	Ziprasidone Impurity 23
AR-Z01360-01	Ziprasidone Impurity 20
AR-Z01355-01	Ziprasidone Impurity 14
AR-Z01100-01	Ziprasidone EP Impurity A
AR-Z01093-01	Ziprasidone Deschloro Impurity

Catalog	Name
RM-Z161801-01	Ziprasidone EP Impurity A; Ziprasidone USP Rc A
sc-216533	3-Oxo Ziprasidone (Ziprasidone Impurity B)
RM-Z161808-01	Ziprasidone Impurity 8
RM-Z161849-01	Ziprasidone Impurity 49
RM-Z161850-01	Ziprasidone Impurity 50
RM-Z161843-01	Ziprasidone Impurity 43
RM-Z161815-01	Ziprasidone Impurity 15
RM-Z161817-01	Ziprasidone Impurity 17
RM-Z161819-01	Ziprasidone Impurity 19
RM-Z161848-01	Ziprasidone Impurity 48