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220589-37-7 | Fluticasone Dimer Impurity
CAS No: 220589-37-7 Catalog No: AG003QMB MDL No:
Product Description
Catalog Number:
AG003QMB
Chemical Name:
Fluticasone Dimer Impurity
CAS Number:
220589-37-7
IUPAC Name:
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
InChI:
InChI=1S/C43H51F5O8S/c1-20-11-24-26-15-30(45)28-13-22(49)7-9-36(28,3)40(26,47)32(51)17-38(24,5)42(20,55)34(53)56-43(35(54)57-19-44)21(2)12-25-27-16-31(46)29-14-23(50)8-10-37(29,4)41(27,48)33(52)18-39(25,43)6/h7-10,13-14,20-21,24-27,30-33,51-52,55H,11-12,15-19H2,1-6H3/t20-,21-,24+,25+,26+,27+,30+,31+,32+,33+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1
InChI Key:
GTZKCEBOBPLPHH-AMISWYLQSA-N
UNII:
1V165RFB9Y
Properties
Complexity:
1970
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
18
Defined Bond Stereocenter Count:
0
Exact Mass:
822.322g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
822.925g/mol
Monoisotopic Mass:
822.322g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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