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GW-870086 50mg

CAT: 0628-A18343-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A18343-50Size:50 mg
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CAS Number
827319-43-7

Chemical Information

Gw-870086

GW870086X has been investigated for the treatment of ASTHMA.

CAS Number827319-43-7
PubChem CID11376392
IUPAC Namecyanomethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2,2,3,3-tetramethylcyclopropanecarbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
Molecular FormulaC31H39F2NO6
Molecular Weight559.6
XLogP4.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity1280
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)OCC#N)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C)F
InChI
InChI=1S/C31H39F2NO6/c1-16-12-18-19-14-21(32)20-13-17(35)8-9-28(20,6)30(19,33)22(36)15-29(18,7)31(16,25(38)39-11-10-34)40-24(37)23-26(2,3)27(23,4)5/h8-9,13,16,18-19,21-23,36H,11-12,14-15H2,1-7H3/t16-,18+,19+,21+,22+,28+,29+,30+,31+/m1/s1
InChIKey
WUBKGTSFJSEIEM-NSHBDUGJSA-N
Chemical Structure
2D Structure
2D structure of Gw-870086
CAS: 827319-43-7
CID: 11376392
Formula: C31H39F2NO6
MW: 559.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.6
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass559.27454429
Monoisotopic Mass559.27454429
Topological Polar Surface Area114 Ų
Heavy Atom Count40
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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