U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20Cl2N2O2
Molecular Weight 319.227
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-BIS(2-CHLOROETHYL)AMINO-L-PHENYLALANINE METHYL ESTER

SMILES

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

InChI

InChIKey=YHYUQHQOUXSXQE-ZDUSSCGKSA-N
InChI=1S/C14H20Cl2N2O2/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/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H20Cl2N2O2
Molecular Weight 319.227
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 15:41:42 GMT 2023
Edited
by admin
on Sat Dec 16 15:41:42 GMT 2023
Record UNII
W83QP8L98W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-BIS(2-CHLOROETHYL)AMINO-L-PHENYLALANINE METHYL ESTER
Systematic Name English
MELPHALAN METHYL ESTER
Common Name English
L-PHENYLALANINE, 4-(BIS(2-CHLOROETHYL)AMINO)-, METHYL ESTER
Systematic Name English
MELPHALAN IMPURITY H [EP IMPURITY]
Common Name English
METHYL 4-(BIS(2-CHLOROETHYL)AMINO)-L-PHENYLALANINATE
Systematic Name English
Code System Code Type Description
FDA UNII
W83QP8L98W
Created by admin on Sat Dec 16 15:41:42 GMT 2023 , Edited by admin on Sat Dec 16 15:41:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID20237058
Created by admin on Sat Dec 16 15:41:42 GMT 2023 , Edited by admin on Sat Dec 16 15:41:42 GMT 2023
PRIMARY
PUBCHEM
177180
Created by admin on Sat Dec 16 15:41:42 GMT 2023 , Edited by admin on Sat Dec 16 15:41:42 GMT 2023
PRIMARY
CAS
88457-23-2
Created by admin on Sat Dec 16 15:41:42 GMT 2023 , Edited by admin on Sat Dec 16 15:41:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP