U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H20N2O4
Molecular Weight 268.3089
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROXYMELPHALAN

SMILES

N[C@@H](CC1=CC=C(C=C1)N(CCO)CCO)C(O)=O

InChI

InChIKey=WHGUXSYETMNGJA-LBPRGKRZSA-N
InChI=1S/C13H20N2O4/c14-12(13(18)19)9-10-1-3-11(4-2-10)15(5-7-16)6-8-17/h1-4,12,16-17H,5-9,14H2,(H,18,19)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H20N2O4
Molecular Weight 268.3089
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:26:15 GMT 2025
Edited
by admin
on Mon Mar 31 22:26:15 GMT 2025
Record UNII
FB8B918966
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROXY MELPHALAN
Preferred Name English
DIHYDROXYMELPHALAN
Common Name English
ALANINE, 3-(P-(BIS(2-HYDROXYETHYL)AMINO)PHENYL)-
Systematic Name English
MELPHALAN IMPURITY A [EP IMPURITY]
Common Name English
L-PHENYLALANINE, 4-(BIS(2-HYDROXYETHYL)AMINO)-
Systematic Name English
(S)-2-Amino-3-(4-(bis(2-hydroxyethyl)amino)phenyl)propanoic acid
Systematic Name English
4-(BIS(2-HYDROXYETHYL)AMINO)-L-PHENYLALANINE
Systematic Name English
Code System Code Type Description
PUBCHEM
155704
Created by admin on Mon Mar 31 22:26:15 GMT 2025 , Edited by admin on Mon Mar 31 22:26:15 GMT 2025
PRIMARY
FDA UNII
FB8B918966
Created by admin on Mon Mar 31 22:26:15 GMT 2025 , Edited by admin on Mon Mar 31 22:26:15 GMT 2025
PRIMARY
CAS
72143-20-5
Created by admin on Mon Mar 31 22:26:15 GMT 2025 , Edited by admin on Mon Mar 31 22:26:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID00222467
Created by admin on Mon Mar 31 22:26:15 GMT 2025 , Edited by admin on Mon Mar 31 22:26:15 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP