(5,5’-Bis(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6,6’-dichloro-3-hydroxy-3,3’-biindolin - CAS 1303996-68-0

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Catalog Number: R020207

CAS Number: 1303996-68-0

PubChem Substance ID:355057645

Molecular Formula: C42H40Cl2N8O3S2

Molecular Weight:839.855

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

SynonymsZiprasidone Related Compound C;

Property

Molecular Formula: C42H40Cl2N8O3S2
Molecular Weight839.855
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindol-3-yl]-6-chloro-3-hydroxy-1H-indol-2-one
InChIInChI=1S/C42H40Cl2N8O3S2/c43-31-23-33-29(21-25(31)9-11-49-13-17-51(18-14-49)38-27-5-1-3-7-35(27)56-47-38)37(40(53)45-33)42(55)30-22-26(32(44)24-34(30)46-41(42)54)10-12-50-15-19-52(20-16-50)39-28-6-2-4-8-36(28)57-48-39/h1-8,21-24,37,55H,9-20H2,(H,45,53)(H,46,54)
InChIKeyJXXKGHVYXULCTC-UHFFFAOYSA-N
SMILESC1CN(CCN1CCC2=C(C=C3C(=C2)C(C(=O)N3)C4(C5=CC(=C(C=C5NC4=O)Cl)CCN6CCN(CC6)C7=NSC8=CC=CC=C87)O)Cl)C9=NSC1=CC=CC=C19