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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20Cl2N2O2.ClH
Molecular Weight 355.688
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Melphalan Methyl Ester Hydrochloride

SMILES

Cl.COC(=O)[C@@H](N)CC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChIKey=FHKHNGPONDWSEP-ZOWNYOTGSA-N
InChI=1S/C14H20Cl2N2O2.ClH/c1-20-14(19)13(17)10-11-2-4-12(5-3-11)18(8-6-15)9-7-16;/h2-5,13H,6-10,17H2,1H3;1H/t13-;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Melphalan Methyl Ester Hydrochloride
Common Name English
NSC-133726
Preferred Name English
(S)-Methyl 2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoate hydrochloride
Systematic Name English
L-Phenylalanine, 4-[bis(2-chloroethyl)amino]-, methyl ester, hydrochloride (1:1)
Systematic Name English
L-Phenylalanine, 4-[bis(2-chloroethyl)amino]-, methyl ester, monohydrochloride
Systematic Name English
Melphalan Methyl Ester HCl
Common Name English
Code System Code Type Description
FDA UNII
F29ZTX27AY
Created by admin on Wed Apr 02 17:19:03 GMT 2025 , Edited by admin on Wed Apr 02 17:19:03 GMT 2025
PRIMARY
PUBCHEM
21144469
Created by admin on Wed Apr 02 17:19:03 GMT 2025 , Edited by admin on Wed Apr 02 17:19:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID70329578
Created by admin on Wed Apr 02 17:19:03 GMT 2025 , Edited by admin on Wed Apr 02 17:19:03 GMT 2025
PRIMARY
CAS
62978-52-3
Created by admin on Wed Apr 02 17:19:03 GMT 2025 , Edited by admin on Wed Apr 02 17:19:03 GMT 2025
PRIMARY
NIH
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