HIT ID: HIT212083228
Cas No: 388082-78-8
分子式: C43H44ClFN4O11S3
分子量: 943.47
常用名: Lapatinib ditosylate monohydrate
常用名: Lapatinib ditosylate monohydrate
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 4.638509
IUPAC: bis(4-methylbenzene-1-sulfonic acid) N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine hydrate
IUPAC: bis(4-methylbenzene-1-sulfonic acid) N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine hydrate
SMILES: O.Cc1ccc(cc1)S(O)(=O)=O.Cc1ccc(cc1)S(O)(=O)=O.CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
SMILES: O.Cc1ccc(cc1)S(O)(=O)=O.Cc1ccc(cc1)S(O)(=O)=O.CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
InChI key: XNRVGTHNYCNCFF-UHFFFAOYSA-N
