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

Details

Stereochemistry MIXED
Molecular Formula C10H20N2O4
Molecular Weight 232.2768
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-DIETHYLENE DIIMINO DIBUTYRIC ACID

SMILES

CCC(NCCNC(CC)C(O)=O)C(O)=O

InChI

InChIKey=LLOPSLUNSGBASE-UHFFFAOYSA-N
InChI=1S/C10H20N2O4/c1-3-7(9(13)14)11-5-6-12-8(4-2)10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Molecular Formula C10H20N2O4
Molecular Weight 232.2768
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:59:30 UTC 2023
Edited
by admin
on Fri Dec 15 15:59:30 UTC 2023
Record UNII
68E01P9UWH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2'-DIETHYLENE DIIMINO DIBUTYRIC ACID
Common Name English
2,2'-(ETHANEDIYLDIIMINO)BIS-BUTANOIC ACID(MIXTURE OF DIASTEREOMERS)
Systematic Name English
2,2'-(ETHANEDIYLDIIMINO)-BIS-BUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 2,2'-(1,2-ETHANEDIYLDIIMINO)BIS-
Systematic Name English
Code System Code Type Description
FDA UNII
68E01P9UWH
Created by admin on Fri Dec 15 15:59:30 UTC 2023 , Edited by admin on Fri Dec 15 15:59:30 UTC 2023
PRIMARY
PUBCHEM
164632
Created by admin on Fri Dec 15 15:59:30 UTC 2023 , Edited by admin on Fri Dec 15 15:59:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID60964412
Created by admin on Fri Dec 15 15:59:30 UTC 2023 , Edited by admin on Fri Dec 15 15:59:30 UTC 2023
PRIMARY
CAS
498-17-9
Created by admin on Fri Dec 15 15:59:30 UTC 2023 , Edited by admin on Fri Dec 15 15:59:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE