5-METHYL-2-(1-PIPERAZINYL)BENZENESULFONIC ACID MONOHYDRATE

CAS号
133804-44-1
CCD编号
CCD00563321
分子式
C11 H16 N2 O3 S . H2 O
分子量
274.339

基本信息

产品名称: 5-METHYL-2-(1-PIPERAZINYL)BENZENESULFONIC ACID MONOHYDRATE
CAS: 133804-44-1
英文同义词: CALDARET ; 5-METHYL-2-(1-PIPERAZINYL)BENZENESULFONIC ACID MONOHYDRATE
MDL号: MFCD06797702
氢键受体数量: 5
氢键供体数量: 2
Smile: Cc1ccc(c(c1)S(=O)(=O)O)N2CCNCC2.O
InChi: InChI=1S/C11H16N2O3S.H2O/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13;/h2-3,8,12H,4-7H2,1H3,(H,14,15,16);1H2
InChiKey: InChIKey=ZRQKZWAOIRVBFD-UHFFFAOYSA-N

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