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Details

Stereochemistry RACEMIC
Molecular Formula C20H36N2O5.2Na.2HO
Molecular Weight 464.5045
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BIS(CARBOXYMETHYL)-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-UNDECYL-1H-IMIDAZOLIUM DIHYDROXIDE DISODIUM

SMILES

[OH-].[OH-].[Na+].[Na+].CCCCCCCCCCCC1=[N+](CC([O-])=O)CC[N+]1(CCO)CC([O-])=O

InChI

InChIKey=WVICFZOLLSKIAW-UHFFFAOYSA-L
InChI=1S/C20H36N2O5.2Na.2H2O/c1-2-3-4-5-6-7-8-9-10-11-18-21(16-19(24)25)12-13-22(18,14-15-23)17-20(26)27;;;;/h23H,2-17H2,1H3;;;2*1H2/q;2*+1;;/p-2

HIDE SMILES / InChI

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

Molecular Formula C20H36N2O5
Molecular Weight 384.5102
Charge 0
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:16 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:16 GMT 2023
Record UNII
815DKV31Y8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BIS(CARBOXYMETHYL)-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-UNDECYL-1H-IMIDAZOLIUM DIHYDROXIDE DISODIUM
Systematic Name English
1H-IMIDAZOLIUM, 1,3-BIS(CARBOXYMETHYL)-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-UNDECYL-, HYDROXIDE, SODIUM SALT (1:2:2)
Systematic Name English
CARBOXYMETHYL-1,1-ETHYLCARBOXYMETHYL-2-UNDECYLIMIDAZOLINIUM HYDROXIDE, DISODIUM SALT
Systematic Name English
1,3-BIS(CARBOXYMETHYL)-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-UNDECYL-1H-IMIDAZOLIUM DIHYDROXIDE DISODIUM SALT
Common Name English
Code System Code Type Description
CAS
68527-99-1
Created by admin on Sat Dec 16 10:06:16 GMT 2023 , Edited by admin on Sat Dec 16 10:06:16 GMT 2023
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FDA UNII
815DKV31Y8
Created by admin on Sat Dec 16 10:06:16 GMT 2023 , Edited by admin on Sat Dec 16 10:06:16 GMT 2023
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ECHA (EC/EINECS)
271-292-7
Created by admin on Sat Dec 16 10:06:16 GMT 2023 , Edited by admin on Sat Dec 16 10:06:16 GMT 2023
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EPA CompTox
DTXSID50897381
Created by admin on Sat Dec 16 10:06:16 GMT 2023 , Edited by admin on Sat Dec 16 10:06:16 GMT 2023
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PUBCHEM
73556489
Created by admin on Sat Dec 16 10:06:16 GMT 2023 , Edited by admin on Sat Dec 16 10:06:16 GMT 2023
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