IUPAC name
4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid
SMILES
CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl
Compound class
Antineoplastic Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues;
Therapeutic area
Bendamustine is indicated for treatment of chronic lymphocytic leukemia (CLL).
Common name
Bendamustine
IUPAC name
4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid
SMILES
CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl
INCHI
InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)
FORMULA
C16H21Cl2N3O2
Common name
Bendamustine
IUPAC name
4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid
Molecular weight
358.263
clogP
3.333
clogS
-4.749
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
58.36
Number of Rings
2
Rotatable Bond
9
