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Flugestone NA

CAT: 0926-FF39355-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FF39355-02Size:2 mg
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CAS Number
337-03-1
MDL Number
MFCD01698926
Smiles
CC (=O) [C@]1 (CC[C@@H]2[C@@]1 (C[C@@H] ([C@]3 ([C@H]2CCC4=CC (=O) CC[C@@]43C) F) O) C) O
Controlled
Yes

Chemical Information

(11beta)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione

Flugestone is a corticosteroid hormone.

CAS Number337-03-1
PubChem CID254765
IUPAC Name(8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H29FO4
Molecular Weight364.4
XLogP1.8
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity717
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O
InChI
InChI=1S/C21H29FO4/c1-12(23)20(26)9-7-15-16-5-4-13-10-14(24)6-8-18(13,2)21(16,22)17(25)11-19(15,20)3/h10,15-17,25-26H,4-9,11H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey
OFSXGKOMEGSTSE-BPSSIEEOSA-N
Chemical Structure
2D Structure
2D structure of (11beta)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione
CAS: 337-03-1
CID: 254765
Formula: C21H29FO4
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass364.20498756
Monoisotopic Mass364.20498756
Topological Polar Surface Area74.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-F489690-10MGFlugestone
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