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Home Carbonyls Benzenaminium,3,3'-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, dibromide

Benzenaminium,3,3'-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, dibromide

CAS No.:
56-94-0
Catalog Number:
AG00I9ZV
Molecular Formula:
C32H52Br2N4O4
Molecular Weight:
716.5877
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%(HPLC)
In Stock USA
United States
$60
- +
10mg
95%(HPLC)
In Stock USA
United States
$86
- +
25mg
95%(HPLC)
In Stock USA
United States
$155
- +
100mg
95%(HPLC)
In Stock USA
United States
$433
- +
Product Description
Catalog Number:
AG00I9ZV
Chemical Name:
Benzenaminium,3,3'-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, dibromide
CAS Number:
56-94-0
Molecular Formula:
C32H52Br2N4O4
Molecular Weight:
716.5877
MDL Number:
MFCD00152376
IUPAC Name:
trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium;dibromide
InChI:
InChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2
InChI Key:
YHKBUDZECQDYBR-UHFFFAOYSA-L
SMILES:
O=C(N(CCCCCCCCCCN(C(=O)Oc1cccc(c1)[N+](C)(C)C)C)C)Oc1cccc(c1)[N+](C)(C)C.[Br-].[Br-]
EC Number:
200-301-9
UNII:
61D5V4OKTP
Properties
Complexity:
686  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.233g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
716.6g/mol
Monoisotopic Mass:
714.236g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
Outcomes of nonsurgical management and efficacy of demecarium bromide treatment for primary lens instability in dogs: 34 cases (1990-2004). Journal of the American Veterinary Medical Association 20070701
The effects of topical ocular application of 0.25% demecarium bromide on serum acetylcholinesterase levels in normal dogs. Veterinary ophthalmology 20030301
Effect of topically applied 2% pilocarpine and 0.25% demecarium bromide on blood-aqueous barrier permeability in dogs. American journal of veterinary research 19941201
Effect of topically applied demecarium bromide and echothiophate iodide on intraocular pressure and pupil size in beagles with normotensive eyes and beagles with inherited glaucoma. American journal of veterinary research 19930201
Properties