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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H47N2O5S.Na
Molecular Weight 522.717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SODIUM PIPERAZINOETHYL LINOLEATE ETHYLSULFONATE

SMILES

[Na+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCN1CCN(CCS([O-])(=O)=O)CC1

InChI

InChIKey=FAWYDUXUUSHZHQ-NBTZWHCOSA-M
InChI=1S/C26H48N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)33-24-22-27-18-20-28(21-19-27)23-25-34(30,31)32;/h6-7,9-10H,2-5,8,11-25H2,1H3,(H,30,31,32);/q;+1/p-1/b7-6-,10-9-;

HIDE SMILES / InChI

Approval Year

Name Type Language
SODIUM PIPERAZINOETHYL LINOLEATE ETHYLSULFONATE
INCI  
INCI  
Official Name English
9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 2-(4-(2-SULFOETHYL)-1-PIPERAZINYL)ETHYL ESTER, SODIUM SALT
Common Name English
9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 2-(4-(2-SULFOETHYL)-1-PIPERAZINYL)ETHYL ESTER, SODIUM SALT (1:1)
Common Name English
SODIUM PIPERAZINOETHYL LINOLEATE ETHYLSULFONATE [INCI]
Common Name English
Code System Code Type Description
CAS
457064-49-2
Created by admin on Sat Dec 16 20:10:51 GMT 2023 , Edited by admin on Sat Dec 16 20:10:51 GMT 2023
PRIMARY
FDA UNII
B13B764ITI
Created by admin on Sat Dec 16 20:10:51 GMT 2023 , Edited by admin on Sat Dec 16 20:10:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID00963429
Created by admin on Sat Dec 16 20:10:51 GMT 2023 , Edited by admin on Sat Dec 16 20:10:51 GMT 2023
PRIMARY
PUBCHEM
71587738
Created by admin on Sat Dec 16 20:10:51 GMT 2023 , Edited by admin on Sat Dec 16 20:10:51 GMT 2023
PRIMARY