Products for Research Use Only

Ziprasidone EP Impurity E (Enol form)

CAT: 1596-AR-Z01087-02Size: 250 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-Z01087-02Size:250 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1159977-04-4
Synonyms
3- (benzo[d]isothiazol-3-yl) -5- (2- (4- (benzo[d]isothiazol-3-yl) piperazin-1-yl) ethyl) -6-chloroindolin-2-one
Molecular Formula
C28H24ClN5OS2
Molecular Weight
546.1
API Name
Ziprasidone

Chemical Information

3-(1,2-Benzisothiazolyl) ziprasidone
CAS Number1159977-04-4
PubChem CID46780660
IUPAC Name3-(1,2-benzothiazol-3-yl)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
Molecular FormulaC28H24ClN5OS2
Molecular Weight546.1
XLogP6.2
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity830
SMILES
C1CN(CCN1CCC2=CC3=C(C=C2Cl)NC(=O)C3C4=NSC5=CC=CC=C54)C6=NSC7=CC=CC=C76
InChI
InChI=1S/C28H24ClN5OS2/c29-21-16-22-20(25(28(35)30-22)26-18-5-1-3-7-23(18)36-31-26)15-17(21)9-10-33-11-13-34(14-12-33)27-19-6-2-4-8-24(19)37-32-27/h1-8,15-16,25H,9-14H2,(H,30,35)
InChIKey
WMWHMDQKVMOIAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1,2-Benzisothiazolyl) ziprasidone
CAS: 1159977-04-4
CID: 46780660
Formula: C28H24ClN5OS2
MW: 546.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight546.1
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass545.1110804
Monoisotopic Mass545.1110804
Topological Polar Surface Area118 Ų
Heavy Atom Count37
Formal Charge0
Complexity830
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes