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Reference substances

Reference substances

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General information

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Reference substance information

Synonyms
Names:
Identifier:
IUPAC name
5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one
Identifier:
common name
Ziprasidone
Identifier:
other: Molecular formula
C21 H21 Cl N4 O S
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one

CAS information

CAS number:
146939-27-7

Molecular and structural information

Molecular formula:
C21H21ClN4OS
Molecular weight:
412.936
SMILES notation:
C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
InChl:
InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Structural formula:
Chemical structure