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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2.2Br.H2O
Molecular Weight 362.06
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIQUAT DIBROMIDE MONOHYDRATE

SMILES

O.[Br-].[Br-].C1C[N+]2=C(C=CC=C2)C3=CC=CC=[N+]13

InChI

InChIKey=KLJOSQAQZMLLMB-UHFFFAOYSA-L
InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2

HIDE SMILES / InChI

Molecular Formula C12H12N2
Molecular Weight 184.2371
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:02:22 UTC 2023
Edited
by admin
on Sat Dec 16 04:02:22 UTC 2023
Record UNII
KU81Z1B8QW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIQUAT DIBROMIDE MONOHYDRATE
MI  
Common Name English
DIPYRIDO(1,2-A:2',1'-C)PYRAZINIUM, 6,7-DIHYDRO-, BROMIDE, HYDRATE (1:2:1)
Systematic Name English
1,1'-ETHYLENE-2,2'-DIPYRIDYLIUM DIBROMIDE MONOHYDRATE
Common Name English
DIQUAT DIBROMIDE MONOHYDRATE [MI]
Common Name English
Code System Code Type Description
ALANWOOD
diquat dibromide (monohydrate)
Created by admin on Sat Dec 16 04:02:22 UTC 2023 , Edited by admin on Sat Dec 16 04:02:22 UTC 2023
PRIMARY
PUBCHEM
115268
Created by admin on Sat Dec 16 04:02:22 UTC 2023 , Edited by admin on Sat Dec 16 04:02:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID7031248
Created by admin on Sat Dec 16 04:02:22 UTC 2023 , Edited by admin on Sat Dec 16 04:02:22 UTC 2023
PRIMARY
CAS
6385-62-2
Created by admin on Sat Dec 16 04:02:22 UTC 2023 , Edited by admin on Sat Dec 16 04:02:22 UTC 2023
PRIMARY
FDA UNII
KU81Z1B8QW
Created by admin on Sat Dec 16 04:02:22 UTC 2023 , Edited by admin on Sat Dec 16 04:02:22 UTC 2023
PRIMARY
MERCK INDEX
m4662
Created by admin on Sat Dec 16 04:02:22 UTC 2023 , Edited by admin on Sat Dec 16 04:02:22 UTC 2023
PRIMARY Merck Index
Related Record Type Details
ANHYDROUS->SOLVATE