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Details

Stereochemistry EPIMERIC
Molecular Formula C26H43NO10S.4Na
Molecular Weight 653.644
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRASODIUM N-(3-CARBOXY-1-OXO-3-SULFOPROPYL)-N-OCTADECYLASPARTATE

SMILES

[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCCCCN([C@@H](CC([O-])=O)C([O-])=O)C(=O)CC(C([O-])=O)S([O-])(=O)=O

InChI

InChIKey=XZPMQCKVOWVETG-WZJRWHPNSA-J
InChI=1S/C26H47NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37;;;;/h21-22H,2-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4/t21-,22?;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula C26H43NO10S
Molecular Weight 561.685
Charge -4
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 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 09:54:19 GMT 2023
Edited
by admin
on Sat Dec 16 09:54:19 GMT 2023
Record UNII
E2IEN67Y0A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRASODIUM N-(3-CARBOXY-1-OXO-3-SULFOPROPYL)-N-OCTADECYLASPARTATE
Common Name English
L-ASPARTIC ACID, N-(3-CARBOXY-1-OXO-3-SULFOPROPYL)-N-OCTADECYL-, TETRASODIUM SALT
Common Name English
TETRASODIUM N-(1,2-DICARBOXYETHYL)-N-OCTADECYL-3-SULFOSUCCINAMATE
Common Name English
Code System Code Type Description
PUBCHEM
23620590
Created by admin on Sat Dec 16 09:54:19 GMT 2023 , Edited by admin on Sat Dec 16 09:54:19 GMT 2023
PRIMARY
FDA UNII
E2IEN67Y0A
Created by admin on Sat Dec 16 09:54:19 GMT 2023 , Edited by admin on Sat Dec 16 09:54:19 GMT 2023
PRIMARY
CAS
100456-55-1
Created by admin on Sat Dec 16 09:54:19 GMT 2023 , Edited by admin on Sat Dec 16 09:54:19 GMT 2023
PRIMARY