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Dexamethasone palmitate 25mg

CAT: 0628-A18453-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A18453-25Size:25 mg
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CAS Number
14899-36-6

Chemical Information

Dexamethasone Palmitate

Dexamethasone palmitate is an organic molecular entity.

CAS Number14899-36-6
PubChem CID63044
IUPAC Name[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexadecanoate
Molecular FormulaC38H59FO6
Molecular Weight630.9
XLogP9.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count45
Formal Charge0
Complexity1130
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(=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)O
InChI
InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1
InChIKey
WDPYZTKOEFDTCU-WDJQFAPHSA-N
Chemical Structure
2D Structure
2D structure of Dexamethasone Palmitate
CAS: 14899-36-6
CID: 63044
Formula: C38H59FO6
MW: 630.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.9
XLogP39.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass630.42956776
Monoisotopic Mass630.42956776
Topological Polar Surface Area101 Ų
Heavy Atom Count45
Formal Charge0
Complexity1130
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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