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Fluticasone propionate Impurity 14

CAT: 0572-TRC-F601840-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F601840-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
709002-84-6
Hazard Statement
No Data Available
Smiles
O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)SC(=O)N(C)C)C4(C)CC(O)C32F)C
Molecular Formula
C24H31F2NO5S
Molecular Weight
483.57

Chemical Information

S-{[(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl]carbonyl} dimethylcarbamothioate
CAS Number709002-84-6
PubChem CID156597185
IUPAC NameS-(dimethylcarbamoyl) (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-carbothioate
Molecular FormulaC24H31F2NO5S
Molecular Weight483.6
XLogP2.5
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity984
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)SC(=O)N(C)C)O)C)O)F)C)F
InChI
InChI=1S/C24H31F2NO5S/c1-12-8-14-15-10-17(25)16-9-13(28)6-7-21(16,2)23(15,26)18(29)11-22(14,3)24(12,32)19(30)33-20(31)27(4)5/h6-7,9,12,14-15,17-18,29,32H,8,10-11H2,1-5H3/t12-,14+,15+,17+,18+,21+,22+,23+,24+/m1/s1
InChIKey
LGCLZZKZHOIDRN-CQRCZTONSA-N
Chemical Structure
2D Structure
2D structure of S-{[(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl]carbonyl} dimethylcarbamothioate
CAS: 709002-84-6
CID: 156597185
Formula: C24H31F2NO5S
MW: 483.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass483.18910059
Monoisotopic Mass483.18910059
Topological Polar Surface Area120 Ų
Heavy Atom Count33
Formal Charge0
Complexity984
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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