Ziprasidone hydrochloride monohydrate

HCID 60853CAS 138982-67-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
InChIKey: ZCBZSCBNOOIHFP-UHFFFAOYSA-N
分子式: C21H24Cl2N4O2S
平均分子量: 467.4 g/mol
単同位体質量: 466.09970237

概要

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名称と識別子

優先名称: Ziprasidone hydrochloride monohydrate
IUPAC: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride

名称と別名

138982-67-9Ziprasidone hydrochloride monohydrateGeodonZiprasidone HCl hydrate5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one hydrochloride hydrateZIPRASIDONE HYDROCHLORIDE HYDRATEMFCD009218852H-Indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-, hydrochloride, hydrate (1:1:1)Ziprasidone HCl monohydrateZiprasidone hydrochloride [USAN]5-(2-(4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-2-indolinone monohydrochloride, monohydrateGeodon (TN)

名称をさらに表示

Ziprasidone (hydrochloride monohydrate)2H-Indol-2-one, 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-, monohydrochloride, monohydrateZiprasidone hydrochloride hydrate (JAN)ZIPRASIDONE HYDROCHLORIDE HYDRATE [JAN]NCGC00186050-015-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochlorideUNII-216X081ORUCP 88,059-1

データベース識別子

CAS: 138982-67-9
PubChem CID: 60853
DTXSID: DTXSID00160855
ChEMBL: CHEMBL1375743
UNII: 216X081ORU

物性

構造計算による物性

極性表面積: 77.7 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 30
形式電荷: 0
複雑度: 573

安全と法規制

危険有害性情報

Regulatory InformationZiprasidone hydrochloride monohydrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.