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Fluperolone acetate

CAT: 0931-T31826-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T31826-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2119-75-7
Target
Others
Related Pathways
Others
Bioactivity
Fluperolone acetate is a Glucocorticoid/Adrenal Cortex Hormone.
Smiles
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C([C@@H](OC(C)=O)C)=O)(O)CC3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Molecular Formula
C24H31FO6
Molecular Weight
434.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fluperolone Acetate

Fluperolone is a 20-oxo steroid.

CAS Number2119-75-7
PubChem CID66257
IUPAC Name[(2S)-1-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-1-oxopropan-2-yl] acetate
Molecular FormulaC24H31FO6
Molecular Weight434.5
XLogP1.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity910
SMILES
C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)OC(=O)C
InChI
InChI=1S/C24H31FO6/c1-13(31-14(2)26)20(29)23(30)10-8-17-18-6-5-15-11-16(27)7-9-21(15,3)24(18,25)19(28)12-22(17,23)4/h7,9,11,13,17-19,28,30H,5-6,8,10,12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
InChIKey
HHPZZKDXAFJLOH-QZIXMDIESA-N
Chemical Structure
2D Structure
2D structure of Fluperolone Acetate
CAS: 2119-75-7
CID: 66257
Formula: C24H31FO6
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass434.21046687
Monoisotopic Mass434.21046687
Topological Polar Surface Area101 Ų
Heavy Atom Count31
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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