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Details

Stereochemistry ACHIRAL
Molecular Formula C33H70N.2Al.3O.4O2Si.H.H2O
Molecular Weight 842.2373
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUATERNIUM-90 BENTONITE

SMILES

[H-].O.[O--].[O--].[O--].[Al+3].[Al+3].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCC

InChI

InChIKey=WWEJJHKVJXCQFH-UHFFFAOYSA-N
InChI=1S/C33H70N.2Al.4O2Si.H2O.3O.H/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34(3,4)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;4*1-3-2;;;;;/h5-33H2,1-4H3;;;;;;;1H2;;;;/q+1;2*+3;;;;;;3*-2;-1

HIDE SMILES / InChI

Molecular Formula H
Molecular Weight 1.0079
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula O2Si
Molecular Weight 60.0843
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C33H70N
Molecular Weight 480.9156
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 18:33:03 UTC 2023
Edited
by admin
on Sat Dec 16 18:33:03 UTC 2023
Record UNII
97K5YEF88C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUATERNIUM-90 BENTONITE
INCI  
Official Name English
QUATERNIUM-90 BENTONITE [INCI]
Common Name English
QUATERNARY AMMONIUM COMPOUNDS, DI-C14-18-ALKYLDIMETHYL, SALTS WITH BENTONITE
Common Name English
TIXOGEL VP-V
Brand Name English
Code System Code Type Description
FDA UNII
97K5YEF88C
Created by admin on Sat Dec 16 18:33:03 UTC 2023 , Edited by admin on Sat Dec 16 18:33:03 UTC 2023
PRIMARY
DAILYMED
97K5YEF88C
Created by admin on Sat Dec 16 18:33:03 UTC 2023 , Edited by admin on Sat Dec 16 18:33:03 UTC 2023
PRIMARY
PUBCHEM
155884443
Created by admin on Sat Dec 16 18:33:03 UTC 2023 , Edited by admin on Sat Dec 16 18:33:03 UTC 2023
PRIMARY
CAS
226226-22-8
Created by admin on Sat Dec 16 18:33:03 UTC 2023 , Edited by admin on Sat Dec 16 18:33:03 UTC 2023
PRIMARY
RXCUI
2560230
Created by admin on Sat Dec 16 18:33:03 UTC 2023 , Edited by admin on Sat Dec 16 18:33:03 UTC 2023
PRIMARY