HIT ID: HIT107704335
Cas No: 3543-75-7
分子式: C16H22Cl3N3O2
分子量: 394.72
常用名: Bendamustine hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 3.237000000000000e+000
IUPAC: 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid hydrochloride
IUPAC: 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid hydrochloride
SMILES: Cl.Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl
SMILES: Cl.Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl
InChI key: ZHSKUOZOLHMKEA-UHFFFAOYSA-N