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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19ClN2O3
Molecular Weight 286.755
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOHYDROXYMELPHALAN

SMILES

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

InChI

InChIKey=CPWJECQKVRUIOI-LBPRGKRZSA-N
InChI=1S/C13H19ClN2O3/c14-5-6-16(7-8-17)11-3-1-10(2-4-11)9-12(15)13(18)19/h1-4,12,17H,5-9,15H2,(H,18,19)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H19ClN2O3
Molecular Weight 286.755
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 09:00:43 UTC 2023
Edited
by admin
on Sat Dec 16 09:00:43 UTC 2023
Record UNII
ESL4D945VL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOHYDROXYMELPHALAN
Common Name English
MELPHALAN IMPURITY D [EP IMPURITY]
Common Name English
L-PHENYLALANINE, 4-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)-
Systematic Name English
HYDROXYMELPHALAN
Common Name English
4-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)-L-PHENYLALANINE
Systematic Name English
MONOHYDROXY MELPHALAN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50459201
Created by admin on Sat Dec 16 09:00:43 UTC 2023 , Edited by admin on Sat Dec 16 09:00:43 UTC 2023
PRIMARY
CAS
61733-01-5
Created by admin on Sat Dec 16 09:00:43 UTC 2023 , Edited by admin on Sat Dec 16 09:00:43 UTC 2023
PRIMARY
PUBCHEM
11219908
Created by admin on Sat Dec 16 09:00:43 UTC 2023 , Edited by admin on Sat Dec 16 09:00:43 UTC 2023
PRIMARY
FDA UNII
ESL4D945VL
Created by admin on Sat Dec 16 09:00:43 UTC 2023 , Edited by admin on Sat Dec 16 09:00:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP