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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H32NO5.Na
Molecular Weight 365.4401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM N-(2-CARBOXYETHYL)-N-(1-OXODODECYL)-BETA-ALANINATE

SMILES

[Na+].CCCCCCCCCCCC(=O)N(CCC(O)=O)CCC([O-])=O

InChI

InChIKey=ATVSSLLGMPQIQW-UHFFFAOYSA-M
InChI=1S/C18H33NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19(14-12-17(21)22)15-13-18(23)24;/h2-15H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C18H32NO5
Molecular Weight 342.4504
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 12:26:45 GMT 2023
Edited
by admin
on Sat Dec 16 12:26:45 GMT 2023
Record UNII
B80PV29PRU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM N-(2-CARBOXYETHYL)-N-(1-OXODODECYL)-BETA-ALANINATE
Systematic Name English
.BETA.-ALANINE, N-(2-CARBOXYETHYL)-N-(1-OXODODECYL)-, SODIUM SALT (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
56841523
Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023
PRIMARY
FDA UNII
B80PV29PRU
Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID30219062
Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
273-681-7
Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023
PRIMARY
CAS
69003-47-0
Created by admin on Sat Dec 16 12:26:45 GMT 2023 , Edited by admin on Sat Dec 16 12:26:45 GMT 2023
PRIMARY