MELPHALAN HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 1VXP4V453T
EPA CompTox DTXSID60872785
Parent Compound: MELPHALAN

Structure

InChI Key OUUYBRCCFUEMLH-YDALLXLXSA-N
Smiles Cl.N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
InChI
InChI=1S/C13H18Cl2N2O2.ClH/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);1H/t12-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19Cl3N2O2
Molecular Weight 341.67
AlogP 1.93
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 66.56
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 19.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed

Cross References

Resources Reference
ChEMBL CHEMBL1200863
FDA SRS 1VXP4V453T
PubChem 9927978
SureChEMBL SCHEMBL41335
CONTENTS