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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 Sat Dec 16 09:00:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:00:42 GMT 2023
Record UNII
FB8B918966
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
DIHYDROXY MELPHALAN
Common 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 Sat Dec 16 09:00:42 GMT 2023 , Edited by admin on Sat Dec 16 09:00:42 GMT 2023
PRIMARY
FDA UNII
FB8B918966
Created by admin on Sat Dec 16 09:00:42 GMT 2023 , Edited by admin on Sat Dec 16 09:00:42 GMT 2023
PRIMARY
CAS
72143-20-5
Created by admin on Sat Dec 16 09:00:42 GMT 2023 , Edited by admin on Sat Dec 16 09:00:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID00222467
Created by admin on Sat Dec 16 09:00:42 GMT 2023 , Edited by admin on Sat Dec 16 09:00:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP