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Home > Bromides > 1390654-28-0
1390654-28-0 | KRN2 bromide
CAS No: 1390654-28-0 Catalog No: AG01EO3V MDL No:
Product Description
Catalog Number:
AG01EO3V
Chemical Name:
KRN2 bromide
CAS Number:
1390654-28-0
Molecular Formula:
C27H23BrFNO4
Molecular Weight:
524.3782
IUPAC Name:
21-[(2-fluorophenyl)methyl]-16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;bromide
InChI:
InChI=1S/C27H23FNO4.BrH/c1-30-23-8-7-18-20(11-17-5-3-4-6-22(17)28)26-19-13-25-24(32-15-33-25)12-16(19)9-10-29(26)14-21(18)27(23)31-2;/h3-8,12-14H,9-11,15H2,1-2H3;1H/q+1;/p-1
InChI Key:
UMRLOOJWWLJVCD-UHFFFAOYSA-M
SMILES:
COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2Cc1ccccc1F)cc1c(c3)OCO1.[Br-]
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.079g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.386g/mol
Monoisotopic Mass:
523.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structural optimization of berberine as a synergist to restore antifungal activity of fluconazole against drug-resistant Candida albicans. | ChemMedChem 20140101 |
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