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CHEBI:165233 - 3,4-Dehydrochlorambucil

ChEBI IDCHEBI:165233
ChEBI Name3,4-Dehydrochlorambucil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17Cl2NO2
Net Charge0
Average Mass302.201
Monoisotopic Mass301.06363
SMILESO=C(O)C/C=C/c1ccc(N(CCCl)CCCl)cc1
InChIInChI=1S/C14H17Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h1-2,4-7H,3,8-11H2,(H,18,19)/b2-1+
InChIKeyPXOQTPQOIMSYSF-OWOJBTEDSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4-Dehydrochlorambucil (CHEBI:165233) is a styrenes (CHEBI:26799)
IUPAC Name 
(E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
Manual XrefsDatabases
4946159ChemSpider
Registry NumbersSources
CAS:73027-06-2ChemIDplus