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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H29NO3.C6H15NO3
Molecular Weight 420.5839
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-((ISONONOYL)AMINO)HEXANOIC ACID TRIETHANOLAMINE

SMILES

OCCN(CCO)CCO.CC(C)CCCCCC(=O)NCCCCCC(O)=O

InChI

InChIKey=FKSJFWVVZWWJJB-UHFFFAOYSA-N
InChI=1S/C15H29NO3.C6H15NO3/c1-13(2)9-5-3-6-10-14(17)16-12-8-4-7-11-15(18)19;8-4-1-7(2-5-9)3-6-10/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19);8-10H,1-6H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ETHANOL, 2,2',2''-NITRILOTRIS-, 6-((1-OXOISONONYL)AMINO)HEXANOATE (SALT)
Preferred Name English
6-((ISONONOYL)AMINO)HEXANOIC ACID TRIETHANOLAMINE
Systematic Name English
HEXANOIC ACID, 6-((1-OXOISONONYL)AMINO)-, COMPD. WITH 2,2',2''-NITRILOTRIS(ETHANOL) (1:1)
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
288-270-8
Created by admin on Mon Mar 31 23:42:45 GMT 2025 , Edited by admin on Mon Mar 31 23:42:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID001006300
Created by admin on Mon Mar 31 23:42:45 GMT 2025 , Edited by admin on Mon Mar 31 23:42:45 GMT 2025
PRIMARY
FDA UNII
LP0N86AMBI
Created by admin on Mon Mar 31 23:42:45 GMT 2025 , Edited by admin on Mon Mar 31 23:42:45 GMT 2025
PRIMARY
PUBCHEM
174501
Created by admin on Mon Mar 31 23:42:45 GMT 2025 , Edited by admin on Mon Mar 31 23:42:45 GMT 2025
PRIMARY
CAS
85702-79-0
Created by admin on Mon Mar 31 23:42:45 GMT 2025 , Edited by admin on Mon Mar 31 23:42:45 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966