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1159977-04-4 | 3-(1,2-Benzisothiazolyl) Ziprasidone (Ziprasidone Impurity E)
CAS No: 1159977-04-4 Catalog No: AG008WZX MDL No:
Product Description
Catalog Number:
AG008WZX
Chemical Name:
3-(1,2-Benzisothiazolyl) Ziprasidone
(Ziprasidone Impurity E)
CAS Number:
1159977-04-4
IUPAC Name:
3-(1,2-benzothiazol-3-yl)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
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)
InChI Key:
WMWHMDQKVMOIAL-UHFFFAOYSA-N
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.111g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
546.104g/mol
Monoisotopic Mass:
545.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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