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broxaldine

CAS No.:
3684-46-6
Catalog Number:
AG00CIO2
Molecular Formula:
C17H11Br2NO2
Molecular Weight:
421.0827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$140
- +
Product Description
Catalog Number:
AG00CIO2
Chemical Name:
broxaldine
CAS Number:
3684-46-6
Molecular Formula:
C17H11Br2NO2
Molecular Weight:
421.0827
MDL Number:
MFCD00865040
IUPAC Name:
(5,7-dibromo-2-methylquinolin-8-yl) benzoate
InChI:
InChI=1S/C17H11Br2NO2/c1-10-7-8-12-13(18)9-14(19)16(15(12)20-10)22-17(21)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
IJTPLVAAROHGGB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(OC(=O)c1ccccc1)c(cc2Br)Br
EC Number:
222-971-1
UNII:
6308U1DL5F
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.914g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.088g/mol
Monoisotopic Mass:
418.916g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
A study on the neurotoxicity of broxyquinoline and brobenzoxaldine combination in therapeutic doses. Human toxicology 19860101
Properties