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Tralonide

CAT: 1596-AR-F01718-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01718-02Size:25 Units
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CAS Number
21365-49-1
Synonyms
(2S,6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -6b,7-dichloro-2-fluoro-8b- (2-fluoroacetyl) -6a,8a,10,10-tetramethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4 (2H) -one; Tralonide;9,11?-Dichloro-6?,21-difluoro-16?,17-[ (1-methylethylidene) bis (oxy) ]pregna-1,4-diene-3,20-dione
Molecular Formula
C24H28Cl2F2O4
Molecular Weight
489.39
API Name
Fluocortolone

Chemical Information

Tralonide

synthetic topical corticosteroid; structure

CAS Number21365-49-1
PubChem CID20055296
IUPAC Name(1S,2S,4R,8S,9S,11S,12R,13S,19S)-11,12-dichloro-19-fluoro-8-(2-fluoroacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC24H28Cl2F2O4
Molecular Weight489.4
XLogP5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity966
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CF)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)Cl)Cl
InChI
InChI=1S/C24H28Cl2F2O4/c1-20(2)31-19-9-13-14-8-16(28)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
OGZHZYVCWDUIJV-VSXGLTOVSA-N
Chemical Structure
2D Structure
2D structure of Tralonide
CAS: 21365-49-1
CID: 20055296
Formula: C24H28Cl2F2O4
MW: 489.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.4
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass488.1332711
Monoisotopic Mass488.1332711
Topological Polar Surface Area52.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity966
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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