IUPAC name
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
SMILES
OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
Compound class
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues;
Therapeutic area
For treatment of chronic lymphatic (lymphocytic) leukemia, childhood minimal-change nephrotic syndrome, and malignant lymphomas including lymphosarcoma, giant follicular lymphoma, Hodgkin's disease, non-Hodgkin's lymphomas, and Waldenström's Macroglobulinemia.
Common name
Chlorambucil
IUPAC name
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
SMILES
OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
INCHI
InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)
FORMULA
C14H19Cl2NO2
Common name
Chlorambucil
IUPAC name
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
Molecular weight
304.212
clogP
3.749
clogS
-4.555
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
40.54
Number of Rings
1
Rotatable Bond
9
