CHEBI:165233 - 3,4-Dehydrochlorambucil

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ChEBI Name 3,4-Dehydrochlorambucil
ChEBI ID CHEBI:165233
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H17Cl2NO2
Net Charge 0
Average Mass 302.200
Monoisotopic Mass 301.06363
InChI InChI=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+
InChIKey PXOQTPQOIMSYSF-OWOJBTEDSA-N
SMILES ClCCN(C1=CC=C(C=C1)/C=C/CC(O)=O)CCCl
ChEBI Ontology
Outgoing 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 Xref Database
4946159 ChemSpider
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Registry Number Type Source
73027-06-2 CAS Registry Number ChemIDplus