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Details

Stereochemistry RACEMIC
Molecular Formula C13H18Cl2N2O2
Molecular Weight 305.2
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METAMELFALAN, (±)-

SMILES

NC(CC1=CC=CC(=C1)N(CCCl)CCCl)C(O)=O

InChI

InChIKey=QDGAVODICPCDMU-UHFFFAOYSA-N
InChI=1S/C13H18Cl2N2O2/c14-4-6-17(7-5-15)11-3-1-2-10(8-11)9-12(16)13(18)19/h1-3,8,12H,4-7,9,16H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C13H18Cl2N2O2
Molecular Weight 305.2
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:52:37 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:37 GMT 2023
Record UNII
8BA40E8GDC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METAMELFALAN, (±)-
Common Name English
3-(BIS(2-CHLOROETHYL)AMINO)PHENYLALANINE
Systematic Name English
PHENYLALANINE, 3-(BIS(2-CHLOROETHYL)AMINO)-
Systematic Name English
ALANINE, 3-(M-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-, DL-
Systematic Name English
NSC-27381
Code English
DL-PHENYLALANINE, 3-(BIS(2-CHLOROETHYL)AMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
14152
Created by admin on Sat Dec 16 12:52:37 GMT 2023 , Edited by admin on Sat Dec 16 12:52:37 GMT 2023
PRIMARY
FDA UNII
8BA40E8GDC
Created by admin on Sat Dec 16 12:52:37 GMT 2023 , Edited by admin on Sat Dec 16 12:52:37 GMT 2023
PRIMARY
NSC
27381
Created by admin on Sat Dec 16 12:52:37 GMT 2023 , Edited by admin on Sat Dec 16 12:52:37 GMT 2023
PRIMARY
CAS
1088-79-5
Created by admin on Sat Dec 16 12:52:37 GMT 2023 , Edited by admin on Sat Dec 16 12:52:37 GMT 2023
PRIMARY