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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H12N4O4
Molecular Weight 228.2053
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,5S)-3,6-Dioxo-2,5-piperazinediacetamide

SMILES

NC(=O)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC1=O

InChI

InChIKey=VRHCRFVPPMTPGK-IMJSIDKUSA-N
InChI=1S/C8H12N4O4/c9-5(13)1-3-7(15)12-4(2-6(10)14)8(16)11-3/h3-4H,1-2H2,(H2,9,13)(H2,10,14)(H,11,16)(H,12,15)/t3-,4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H12N4O4
Molecular Weight 228.2053
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:09:46 GMT 2023
Edited
by admin
on Sat Dec 16 18:09:46 GMT 2023
Record UNII
ZXY77KXZ8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,5S)-3,6-Dioxo-2,5-piperazinediacetamide
Systematic Name English
2,5-Piperazinediacetamide, 3,6-dioxo-, (2S-cis)-
Systematic Name English
Asparagine Related Compound A [USP IMPURITY]
Common Name English
2,2'-(3,6-dioxopiperazine-2,5-diyl)diacetamide
Systematic Name English
Asparagine Related Compound A [USP-RS]
Common Name English
2,5-Piperazinediacetamide, 3,6-dioxo-, (2S,5S)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZXY77KXZ8W
Created by admin on Sat Dec 16 18:09:46 GMT 2023 , Edited by admin on Sat Dec 16 18:09:46 GMT 2023
PRIMARY
RS_ITEM_NUM
1043524
Created by admin on Sat Dec 16 18:09:46 GMT 2023 , Edited by admin on Sat Dec 16 18:09:46 GMT 2023
PRIMARY
PUBCHEM
138040552
Created by admin on Sat Dec 16 18:09:46 GMT 2023 , Edited by admin on Sat Dec 16 18:09:46 GMT 2023
PRIMARY
CAS
98490-54-1
Created by admin on Sat Dec 16 18:09:46 GMT 2023 , Edited by admin on Sat Dec 16 18:09:46 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
88206-98-8
Created by admin on Sat Dec 16 18:09:46 GMT 2023 , Edited by admin on Sat Dec 16 18:09:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY