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

Details

Stereochemistry ACHIRAL
Molecular Formula C38H80N.2Al.2Fe.Mg.2Na.10O.Si.H2O
Molecular Weight 993.081
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of DISTEARYLDIMONIUM BENTONITE

SMILES

O.[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Na+].[Na+].[Mg++].[Al+3].[Al+3].[Si+4].[Fe+3].[Fe+3].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC

InChI

InChIKey=ZXKJQHJMHUJTJU-UHFFFAOYSA-N
InChI=1S/C38H80N.2Al.2Fe.Mg.2Na.H2O.10O.Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;;;;;;;;;;;;;;;;;/h5-38H2,1-4H3;;;;;;;;1H2;;;;;;;;;;;/q+1;4*+3;+2;2*+1;;10*-2;+4

HIDE SMILES / InChI

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
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

Molecular Formula Si
Molecular Weight 28.0855
Charge 4
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Fe
Molecular Weight 55.845
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Al
Molecular Weight 26.9815386
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C38H80N
Molecular Weight 551.0485
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:07:25 GMT 2025
Edited
by admin
on Mon Mar 31 21:07:25 GMT 2025
Record UNII
C61FNJ1S85
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISTEARYLDIMONIUM BENTONITE
Preferred Name English
Code System Code Type Description
PUBCHEM
139032996
Created by admin on Mon Mar 31 21:07:25 GMT 2025 , Edited by admin on Mon Mar 31 21:07:25 GMT 2025
PRIMARY
FDA UNII
C61FNJ1S85
Created by admin on Mon Mar 31 21:07:25 GMT 2025 , Edited by admin on Mon Mar 31 21:07:25 GMT 2025
PRIMARY