3,4-dehydrochlorambucil
-
3,4-dehydrochlorambucil
structure -
-
CAS No:
73027-06-2
-
Formula:
C15H19Cl2NO2
-
Chemical Name:
3,4-dehydrochlorambucil
-
Synonyms:
3,4-dehydrochlorambucil;3,4-deshydrochlorambucil;(E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid;(E)-4-[4-[Bis(2-chloroethyl)amino]phenyl]-3-butenoic Acid;CHEBI:165233;((e)-4-[4-bis(2-chloroethyl)aminophenyl]3-butenoic acid);3-Butenoic acid, 4-(4-(bis(2-chloroethyl)amino)phenyl)-, (E)-
-
CAS No:
3,4-dehydrochlorambucil Use and Manufacturing
(E)-4-[4-[Bis(2-chloroethyl)amino]phenyl]-3-butenoic Acid is a metabolite of Chlorambucil (C325050), a chemotherapy drug that has been mainly used in the treatment of chronic lymphocytic leukemia.
Computed Properties
Molecular Weight:302.2
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:301.0636342
Monoisotopic Mass:301.0636342
Topological Polar Surface Area:40.5
Heavy Atom Count:19
Complexity:283
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes