CHEBI:82339 - Merphalan

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ChEBI Name Merphalan
ChEBI ID CHEBI:82339
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H18Cl2N2O2
Net Charge 0
Average Mass 305.20000
Monoisotopic Mass 304.07453
InChI InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)
InChIKey SGDBTWWWUNNDEQ-UHFFFAOYSA-N
SMILES NC(Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Merphalan (CHEBI:82339) is a monocarboxylic acid (CHEBI:25384)
Synonym Source
Sarcolysin KEGG COMPOUND
Manual Xrefs Databases
C19256 KEGG COMPOUND
LSM-36838 LINCS
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Registry Number Type Source
531-76-0 CAS Registry Number KEGG COMPOUND
Last Modified
26 February 2016