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CHEBI:82339 - Merphalan

ChEBI IDCHEBI:82339
ChEBI NameMerphalan
Stars
Last Modified26 February 2016
DownloadsMolfile
FormulaC13H18Cl2N2O2
Net Charge0
Average Mass305.205
Monoisotopic Mass304.07453
SMILESNC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
InChIInChI=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)
InChIKeySGDBTWWWUNNDEQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Merphalan (CHEBI:82339) is a monocarboxylic acid (CHEBI:25384)
Synonym  Source
SarcolysinKEGG COMPOUND
Manual XrefsDatabases
C19256KEGG COMPOUND
LSM-36838LINCS
Registry NumbersSources
CAS:531-76-0KEGG COMPOUND