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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N2.CH3O4S
Molecular Weight 360.427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFENZOQUAT METILSULFATE

SMILES

COS([O-])(=O)=O.CN1C(=CC(C2=CC=CC=C2)=[N+]1C)C3=CC=CC=C3

InChI

InChIKey=XQEMNBNCQVQXMO-UHFFFAOYSA-M
InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C17H17N2
Molecular Weight 249.3303
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:53:38 GMT 2023
Record UNII
6Y5I03RK7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIFENZOQUAT METILSULFATE
ISO  
Common Name English
AVENGE
Brand Name English
1H-PYRAZOLIUM, 1,2-DIMETHYL-3,5-DIPHENYL-, METHYL SULFATE (1:1)
Systematic Name English
DIFENZOQUAT METHYL SULFATE [MI]
Common Name English
FINAVEN
Brand Name English
CL-84777
Code English
DIFENZOQUAT METHYL SULFATE
MI  
Common Name English
DIFENZOQUAT METILSULFATE [ISO]
Common Name English
AC-84777
Code English
Classification Tree Code System Code
EPA PESTICIDE CODE 106401
Created by admin on Sat Dec 16 08:53:38 GMT 2023 , Edited by admin on Sat Dec 16 08:53:38 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
256-152-5
Created by admin on Sat Dec 16 08:53:38 GMT 2023 , Edited by admin on Sat Dec 16 08:53:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID6024048
Created by admin on Sat Dec 16 08:53:38 GMT 2023 , Edited by admin on Sat Dec 16 08:53:38 GMT 2023
PRIMARY
PUBCHEM
39424
Created by admin on Sat Dec 16 08:53:38 GMT 2023 , Edited by admin on Sat Dec 16 08:53:38 GMT 2023
PRIMARY
ALANWOOD
difenzoquat metilsulfate
Created by admin on Sat Dec 16 08:53:38 GMT 2023 , Edited by admin on Sat Dec 16 08:53:38 GMT 2023
PRIMARY
FDA UNII
6Y5I03RK7C
Created by admin on Sat Dec 16 08:53:38 GMT 2023 , Edited by admin on Sat Dec 16 08:53:38 GMT 2023
PRIMARY
MERCK INDEX
m4427
Created by admin on Sat Dec 16 08:53:38 GMT 2023 , Edited by admin on Sat Dec 16 08:53:38 GMT 2023
PRIMARY Merck Index
CAS
43222-48-6
Created by admin on Sat Dec 16 08:53:38 GMT 2023 , Edited by admin on Sat Dec 16 08:53:38 GMT 2023
PRIMARY