Ziprasidone hydrochloride monohydrate[盐酸齐拉西酮一水合物]

138982-67-9

CAS Name

2H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-, hydrochloride, hydrate (1:1:1)

Molecular Formula

C₂₁H₂₁ClN₄OS.ClH.H₂O

Other Names and Identifiers

InChI

InChI=1S/C21H21ClN4OS.ClH.H2O/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);1H;1H2

InChIKey

InChIKey=ZCBZSCBNOOIHFP-UHFFFAOYSA-N

SMILES

C(CC=1C=C2C(=CC1Cl)NC(=O)C2)N3CCN(C=4C=5C(SN4)=CC=CC5)CC3.Cl.O

Canonical SMILES

Cl.O=C1NC2=CC(Cl)=C(C=C2C1)CCN3CCN(C4=NSC=5C=CC=CC54)CC3.O

Other Names for this Substance