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MERBROMIN

CAS No.:
129-16-8
Catalog Number:
AG009AQ0
Molecular Formula:
C20H10Br2HgNa2O6
Molecular Weight:
752.6673
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
1 week
United States
$126
- +
1g
1 week
United States
$140
- +
Product Description
Catalog Number:
AG009AQ0
Chemical Name:
MERBROMIN
CAS Number:
129-16-8
Molecular Formula:
C20H10Br2HgNa2O6
Molecular Weight:
752.6673
MDL Number:
MFCD00013081
IUPAC Name:
disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate
InChI:
InChI=1S/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;;;/h1-7,24H,(H,25,26);;;;1H2/q;;2*+1;/p-2
InChI Key:
KQSRXDXJGUJRKE-UHFFFAOYSA-L
SMILES:
O[Hg]c1c(O)c(Br)cc2c1Oc1cc(O)c(cc1C12OC(=O)c2c1cccc2)Br.[Na].[Na]
EC Number:
204-933-6
Properties
Complexity:
801  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
752.825g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
751.666g/mol
Monoisotopic Mass:
750.827g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties