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

Details

Stereochemistry ACHIRAL
Molecular Formula C46H96N.CH3O4S
Molecular Weight 774.358
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIBEHENYLDIMONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCCCCCC

InChI

InChIKey=SUJJVADBDGTKJX-UHFFFAOYSA-M
InChI=1S/C46H96N.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47(3,4)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-46H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C46H96N
Molecular Weight 663.2611
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 22:52:28 GMT 2025
Edited
by admin
on Mon Mar 31 22:52:28 GMT 2025
Record UNII
P0N118ZWGX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIBEHENYLDIMONIUM METHOSULFATE
INCI  
INCI  
Preferred Name English
Code System Code Type Description
CAS
89004-51-3
Created by admin on Mon Mar 31 22:52:28 GMT 2025 , Edited by admin on Mon Mar 31 22:52:28 GMT 2025
PRIMARY
FDA UNII
P0N118ZWGX
Created by admin on Mon Mar 31 22:52:28 GMT 2025 , Edited by admin on Mon Mar 31 22:52:28 GMT 2025
PRIMARY
PUBCHEM
22020493
Created by admin on Mon Mar 31 22:52:28 GMT 2025 , Edited by admin on Mon Mar 31 22:52:28 GMT 2025
PRIMARY