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Dexamethasone 17-propionate

CAT: 0926-FD21399-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FD21399-01Size:2 mg
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CAS Number
15423-89-9
Synonyms
(11b,16a) -9-Fluoro-11,21-dihydroxy-16-methyl-17- (1-oxopropoxy) -pregna-1,4-diene-3,20-dione;9-Fluoro-11b,17,21-trihydroxy-16a-met
Smiles
CCC (=O) O[C@@]1 ([C@@H] (C[C@@H]2[C@@]1 (C[C@@H] ([C@]3 ([C@H]2CCC4=CC (=O) C=C[C@@]43C) F) O) C) C) C (=O) CO
Molecular Formula
C25H33FO6
Molecular Weight
448.52 g/mol
Controlled
No

Chemical Information

Dexamethasone 17-propionate
CAS Number15423-89-9
PubChem CID63045
IUPAC Name[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC25H33FO6
Molecular Weight448.5
XLogP2.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity925
SMILES
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO
InChI
InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17+,18+,19+,22+,23+,24+,25+/m1/s1
InChIKey
ITYMTTQVNYAJAA-OCUNRLNVSA-N
Chemical Structure
2D Structure
2D structure of Dexamethasone 17-propionate
CAS: 15423-89-9
CID: 63045
Formula: C25H33FO6
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass448.22611693
Monoisotopic Mass448.22611693
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity925
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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