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Details

Stereochemistry RACEMIC
Molecular Formula C26H47N2O5.2Na.HO
Molecular Weight 530.6487
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 1-(2-(CARBOXYMETHOXY)ETHYL)-1-(CARBOXYMETHYL)-2-HEPTADECYL-4,5-DIHYDRO-1H-IMIDAZOLIUM HYDROXIDE

SMILES

[OH-].[Na+].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCOCC([O-])=O)CC([O-])=O

InChI

InChIKey=SYSWOKMPGBUPOD-UHFFFAOYSA-L
InChI=1S/C26H48N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-18-19-28(24,22-25(29)30)20-21-33-23-26(31)32;;;/h2-23H2,1H3,(H-,29,30,31,32);;;1H2/q;2*+1;/p-2

HIDE SMILES / InChI

Molecular Formula C26H47N2O5
Molecular Weight 467.6618
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 HO
Molecular Weight 17.0073
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 10:13:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:13:31 GMT 2023
Record UNII
I73HIG42V8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM 1-(2-(CARBOXYMETHOXY)ETHYL)-1-(CARBOXYMETHYL)-2-HEPTADECYL-4,5-DIHYDRO-1H-IMIDAZOLIUM HYDROXIDE
Systematic Name English
1H-IMIDAZOLIUM, 1-(2-(CARBOXYMETHOXY)ETHYL)-1-(CARBOXYMETHYL)-2-HEPTADECYL-4,5-DIHYDRO-, HYDROXIDE, SODIUM SALT (1:1:2)
Systematic Name English
1H-IMIDAZOLIUM, 1-(2-(CARBOXYMETHOXY)ETHYL)-1-(CARBOXYMETHYL)-2-HEPTADECYL-4,5-DIHYDRO-, HYDROXIDE, DISODIUM SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
112333
Created by admin on Sat Dec 16 10:13:31 GMT 2023 , Edited by admin on Sat Dec 16 10:13:31 GMT 2023
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EPA CompTox
DTXSID10990140
Created by admin on Sat Dec 16 10:13:31 GMT 2023 , Edited by admin on Sat Dec 16 10:13:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
274-173-8
Created by admin on Sat Dec 16 10:13:31 GMT 2023 , Edited by admin on Sat Dec 16 10:13:31 GMT 2023
PRIMARY
FDA UNII
I73HIG42V8
Created by admin on Sat Dec 16 10:13:31 GMT 2023 , Edited by admin on Sat Dec 16 10:13:31 GMT 2023
PRIMARY
CAS
69868-14-0
Created by admin on Sat Dec 16 10:13:31 GMT 2023 , Edited by admin on Sat Dec 16 10:13:31 GMT 2023
PRIMARY