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Fluocortolone Pivalate EP Impurity A

CAT: 1299-RM-F211501-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F211501-01Size:10 mg
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CAS Number
152-97-6
Synonyms
(6S,8S,9S,10R,11S,13S,14S,16R,17S) -6-fluoro-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
C22H29FO4
Molecular Weight
376.46
Target Alternative Name
Fluocortolone
Product Name Synonym
(6S,8S,9S,10R,11S,13S,14S,16R,17S) -6-fluoro-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

Chemical Information

Fluocortolone

Fluocortolone is a 21-hydroxy steroid.

CAS Number152-97-6
PubChem CID9053
IUPAC Name(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H29FO4
Molecular Weight376.5
XLogP2.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity743
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F
InChI
InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1
InChIKey
GAKMQHDJQHZUTJ-ULHLPKEOSA-N
Chemical Structure
2D Structure
2D structure of Fluocortolone
CAS: 152-97-6
CID: 9053
Formula: C22H29FO4
MW: 376.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight376.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass376.20498756
Monoisotopic Mass376.20498756
Topological Polar Surface Area74.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity743
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