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

Details

Stereochemistry MIXED
Molecular Formula C18H33O3.H4N
Molecular Weight 315.4913
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM 9,10-DIOXYSTEARATE

SMILES

[NH4+].CCCCCCCCC1OC1CCCCCCCC([O-])=O

InChI

InChIKey=QEJJTNVKOQFTEP-UHFFFAOYSA-N
InChI=1S/C18H34O3.H3N/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20;/h16-17H,2-15H2,1H3,(H,19,20);1H3

HIDE SMILES / InChI

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H34O3
Molecular Weight 298.4608
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 Mon Mar 31 21:53:13 GMT 2025
Edited
by admin
on Mon Mar 31 21:53:13 GMT 2025
Record UNII
6Z25N6P5XW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-OXIRANEOCTANOIC ACID, 3-OCTYL-, AMMONIUM SALT (1:1)
Preferred Name English
AMMONIUM 9,10-DIOXYSTEARATE
Common Name English
AMMONIUM 9,10-EPOXYSTEARATE
Systematic Name English
OXIRANEOCTANOIC ACID, 3-OCTYL-, AMMONIUM SALT
Systematic Name English
AMMONIUM 9,10-DIEPOXYSTEARATE
Systematic Name English
AMMONIUM 3-OCTYLOXIRAN-2-OCTANOATE
Systematic Name English
Code System Code Type Description
CAS
61792-39-0
Created by admin on Mon Mar 31 21:53:13 GMT 2025 , Edited by admin on Mon Mar 31 21:53:13 GMT 2025
PRIMARY
PUBCHEM
112448
Created by admin on Mon Mar 31 21:53:13 GMT 2025 , Edited by admin on Mon Mar 31 21:53:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID70977371
Created by admin on Mon Mar 31 21:53:13 GMT 2025 , Edited by admin on Mon Mar 31 21:53:13 GMT 2025
PRIMARY
FDA UNII
6Z25N6P5XW
Created by admin on Mon Mar 31 21:53:13 GMT 2025 , Edited by admin on Mon Mar 31 21:53:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
263-221-3
Created by admin on Mon Mar 31 21:53:13 GMT 2025 , Edited by admin on Mon Mar 31 21:53:13 GMT 2025
PRIMARY