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Diflucortolone

CAT: 1596-AR-F01714-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01714-02Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2607-06-9
Synonyms
(6S,8S,9R,10S,11S,13S,14S,16R,17S) -6,9-difluoro-11-hydroxy-17- (2-hydroxyacetyl) -10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C22H28F2O4
Molecular Weight
394.46
API Name
Fluocortolone

Chemical Information

Diflucortolone

Diflucortolone is a 21-hydroxy steroid.

CAS Number2607-06-9
PubChem CID11954369
IUPAC Name(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC22H28F2O4
Molecular Weight394.5
XLogP2.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity791
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@H]1C(=O)CO)C)O)F)C)F
InChI
InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1
InChIKey
OGPWIDANBSLJPC-RFPWEZLHSA-N
Chemical Structure
2D Structure
2D structure of Diflucortolone
CAS: 2607-06-9
CID: 11954369
Formula: C22H28F2O4
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass394.19556569
Monoisotopic Mass394.19556569
Topological Polar Surface Area74.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity791
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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CatalogName
FD41832-01Diflucortolone
T5000-01Diflucortolone valerate
TRC-D445620-2.5MGDiflucortolone 21-Valerate
HY-U00058RDiflucortolone valerate (Standard)
TRC-D445612-50MGDiflucortolone-d3 21-Acetate
TRC-D447424-100MGDiflucortolone 17-Carboxylic Acid

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