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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H54N.CH3O4S
Molecular Weight 479.8
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEHENTRIMONIUM METHOSULFATE

SMILES

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

InChI

InChIKey=QIVLQXGSQSFTIF-UHFFFAOYSA-M
InChI=1S/C25H54N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;1-5-6(2,3)4/h5-25H2,1-4H3;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 C25H54N
Molecular Weight 368.703
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Inactive ingredient
REVERSE IT KIT

Approved Use

PROTECTS AGAINST SUNBURN

Launch Date

2014
Substance Class Chemical
Created
by admin
on Sat Dec 16 20:10:52 GMT 2023
Edited
by admin
on Sat Dec 16 20:10:52 GMT 2023
Record UNII
5SHP745C61
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEHENTRIMONIUM METHOSULFATE
INCI  
INCI  
Official Name English
BEHENYLTRIMETHYLAMMONIUM METHYL SULFATE
Systematic Name English
BEHENYL TRIMETHYL AMMONIUM METHOSULPHATE
Common Name English
BEHENYL TRIMETHYL AMMONIUM METHOSULFATE
Common Name English
BEHENTRIMONIUM METHOSULPHATE
Common Name English
BEHENTRIMONIUM METHOSULFATE [INCI]
Common Name English
Code System Code Type Description
PUBCHEM
157846
Created by admin on Sat Dec 16 20:10:52 GMT 2023 , Edited by admin on Sat Dec 16 20:10:52 GMT 2023
PRIMARY
DAILYMED
5SHP745C61
Created by admin on Sat Dec 16 20:10:52 GMT 2023 , Edited by admin on Sat Dec 16 20:10:52 GMT 2023
PRIMARY
FDA UNII
5SHP745C61
Created by admin on Sat Dec 16 20:10:52 GMT 2023 , Edited by admin on Sat Dec 16 20:10:52 GMT 2023
PRIMARY
RXCUI
1314333
Created by admin on Sat Dec 16 20:10:52 GMT 2023 , Edited by admin on Sat Dec 16 20:10:52 GMT 2023
PRIMARY RxNorm
CAS
81646-13-1
Created by admin on Sat Dec 16 20:10:52 GMT 2023 , Edited by admin on Sat Dec 16 20:10:52 GMT 2023
PRIMARY
SMS_ID
100000175119
Created by admin on Sat Dec 16 20:10:52 GMT 2023 , Edited by admin on Sat Dec 16 20:10:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID00231231
Created by admin on Sat Dec 16 20:10:52 GMT 2023 , Edited by admin on Sat Dec 16 20:10:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
279-791-1
Created by admin on Sat Dec 16 20:10:52 GMT 2023 , Edited by admin on Sat Dec 16 20:10:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE