PIRITREXIM ISETHIONATE

CAS号
79483-69-5
CCD编号
CCD00493566
分子式
C17 H19 N5 O2 . C2 H6 O4 S
分子量
451.501

基本信息

产品名称: PIRITREXIM ISETHIONATE
CAS: 79483-69-5
英文同义词: PIRITREXIM ISETHIONATE
MDL号: MFCD05260900
氢键受体数量: 7
氢键供体数量: 2
Smile: Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC.C(CS(=O)(=O)O)O
InChi: InChI=1S/C17H19N5O2.C2H6O4S/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16;3-1-2-7(4,5)6/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22);3H,1-2H2,(H,4,5,6)
InChiKey: InChIKey=IOEMETRLOWNXGW-UHFFFAOYSA-N

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