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Ziprasidone Impurity 2

CAT: 1596-AR-Z01198-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
684269-12-3
Synonyms
Ziprasidone 2-isopropylidene; 5- (2- (4- (benzo[d]isothiazol-3-yl) piperazin-1-yl) ethyl) -6-chloro-3- (propan-2-ylidene) indolin-2-one; H-Indol-2-one, 5-[2-[4- (1,2-benzisothiazol-3-yl) -1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-3- (1-methylethylidene) -;5-{2-[4- (1,2-Benzothiazol-3-yl) -1-piperazinyl]ethyl}-6-chlor-3-isopropyliden-1,3-dihydro-2H-indol-2-on;5-{2-[4- (1,2-Benzothiazol-3-yl) -1-piperazinyl]ethyl}-6-chloro-3-isopropylidene-1,3-dihydro-2H-indol-2-one;5-{2-[4- (1,2-Benzothiazol-3-yl) -1-pipérazinyl]éthyl}-6-chloro-3-isopropylidène-1,3-dihydro-2H-indol-2-one;5-[2-[4- (1,2-Benzisothiazol-3-yl) -1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-3- (1-methylethylidene) -2H-indol-2-one
Molecular Formula
C24H25ClN4OS
Molecular Weight
453
API Name
Ziprasidone

Chemical Information

Ziprasidone Impurity 2
CAS Number684269-12-3
PubChem CID9955537
IUPAC Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-3-propan-2-ylidene-1H-indol-2-one
Molecular FormulaC24H25ClN4OS
Molecular Weight453.0
XLogP5.5
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity706
SMILES
CC(=C1C2=C(C=C(C(=C2)CCN3CCN(CC3)C4=NSC5=CC=CC=C54)Cl)NC1=O)C
InChI
InChI=1S/C24H25ClN4OS/c1-15(2)22-18-13-16(19(25)14-20(18)26-24(22)30)7-8-28-9-11-29(12-10-28)23-17-5-3-4-6-21(17)31-27-23/h3-6,13-14H,7-12H2,1-2H3,(H,26,30)
InChIKey
MDQHOEPLOWZSDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ziprasidone Impurity 2
CAS: 684269-12-3
CID: 9955537
Formula: C24H25ClN4OS
MW: 453.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.0
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass452.1437603
Monoisotopic Mass452.1437603
Topological Polar Surface Area76.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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