Fluticasone Dimer Impurity - ≥95% , CAS No.220589-37-7

CAS: 220589-37-7 Cat. No.: F336809 Molecular Weight: 822.92 EC Number: 863-880-2 PubChem CID: 71316902

GRADE & PURITY ≥95%

Synonyms

[(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-t

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

[(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-t

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504772097
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772097
• Canonical Smiles: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OC5(C(CC6C5(CC(C7(C6CC(C8=CC(=O)C=CC87C)F)F)O)C)C)C(=O)SCF)O)C)O)F)C)F
• 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
• InChIKey: GTZKCEBOBPLPHH-AMISWYLQSA-N
• 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
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O[C@@]5([C@@H](C[C@@H]6[C@@]5(C[C@@H]([C@]7([C@H]6C[C@@H](C8=CC(=O)C=C[C@@]87C)F)F)O)C)C)C(=O)SCF)O)C)O)F)C)F
• PubChem CID: 71316902
• Molecular Weight: 822.92

Chemical and Physical Properties

• Melt Point(°C): 252-255° C (dec.)
• Molecular Weight: 822.900 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 822.322 Da
• Monoisotopic Mass: 822.322 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1970.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1