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

Details

Stereochemistry MIXED
Molecular Formula C18H34O6S.2Na
Molecular Weight 424.503
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 10-HYDROXY-9-SULFOSTEARATE

SMILES

[Na+].[Na+].CCCCCCCCC(O)C(CCCCCCCC([O-])=O)S([O-])(=O)=O

InChI

InChIKey=FKPPGFNHZJXFCV-UHFFFAOYSA-L
InChI=1S/C18H36O6S.2Na/c1-2-3-4-5-7-10-13-16(19)17(25(22,23)24)14-11-8-6-9-12-15-18(20)21;;/h16-17,19H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C18H34O6S
Molecular Weight 378.524
Charge -2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:54:42 GMT 2023
Edited
by admin
on Sat Dec 16 01:54:42 GMT 2023
Record UNII
BK39YG81LF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 10-HYDROXY-9-SULFOSTEARATE
Systematic Name English
OCTADECANOIC ACID, 10-HYDROXY-9-SULFO-, SODIUM SALT (1:2)
Common Name English
(±)-OCTADECANOIC ACID, 10-HYDROXY-9-SULFO-, SODIUM SALT (1:2)
Common Name English
Code System Code Type Description
FDA UNII
BK39YG81LF
Created by admin on Sat Dec 16 01:54:42 GMT 2023 , Edited by admin on Sat Dec 16 01:54:42 GMT 2023
PRIMARY
CAS
62607-40-3
Created by admin on Sat Dec 16 01:54:42 GMT 2023 , Edited by admin on Sat Dec 16 01:54:42 GMT 2023
PRIMARY
PUBCHEM
72941579
Created by admin on Sat Dec 16 01:54:42 GMT 2023 , Edited by admin on Sat Dec 16 01:54:42 GMT 2023
PRIMARY