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Abafungin

CAS No.:
129639-79-8
Catalog Number:
AG000Z9B
Molecular Formula:
C21H22N4OS
Molecular Weight:
378.4906
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$150
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Product Description
Catalog Number:
AG000Z9B
Chemical Name:
Abafungin
CAS Number:
129639-79-8
Molecular Formula:
C21H22N4OS
Molecular Weight:
378.4906
MDL Number:
MFCD00942263
IUPAC Name:
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)
InChI Key:
TYBHXIFFPVFXQW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)Oc1ccccc1c1csc(n1)NC1=NCCCN1
EC Number:
603-349-2
UNII:
11DI31LWXF
Properties
Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.151g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
378.494g/mol
Monoisotopic Mass:
378.151g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Gateways to clinical trials. Methods and findings in experimental and clinical pharmacology 20100101
Modes of action of the new arylguanidine abafungin beyond interference with ergosterol biosynthesis and in vitro activity against medically important fungi. Chemotherapy 20080801
Properties