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Dexamethasone palmitate
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Name

Dexamethasone palmitate

 EINECS N/A
CAS No. 14899-36-6 Density 1.12
PSA 100.90000 LogP 7.92790
Solubility N/A Melting Point 60-65 °C
Formula C38H59 F O6 Boiling Point 710.1°Cat760mmHg
Molecular Weight 630.881 Flash Point 383.2°C
Transport Information N/A Appearance N/A
Safety An experimental teratogen. Other experimental reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of F−. Risk Codes N/A
Molecular Structure Molecular Structure of 14899-36-6 (Dexamethasone palmitate) Hazard Symbols N/A
Synonyms

Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16a-methyl-, 21-palmitate (6CI,8CI);Palmitic acid, 21-ester with 9-fluoro-11b,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione (8CI);Dexamethasone 21-palmitate; Dexamethasone palmitate; Limethason; Limethasone;Lipotalon

Article Data 1

Dexamethasone palmitate Synthetic route

112-39-0

hexadecanoic acid methyl ester

50-02-2

dexamethasone

14899-36-6

dexamethasone palmitate

Conditions
ConditionsYield
With ceria-doped alumina at 40 - 80℃; under 525.053 Torr; for 3h; Reagent/catalyst; Pressure; Temperature; Inert atmosphere;92%
14899-36-6

dexamethasone palmitate

human low density protein

human low density protein

oxidized dexamethasone palmitate-human low density lipoprotein complex

oxidized dexamethasone palmitate-human low density lipoprotein complex

Conditions
ConditionsYield
Stage #1: dexamethasone palmitate; human low density protein With Celite at 37℃; for 20h; Complex formation;
Stage #2: With copper(II) sulfate at 37℃; for 20h; Oxidation;

Dexamethasone palmitate Chemical Properties

Molecule structure of Dexamethasone palmitate (CAS NO.14899-36-6):

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 Weight: 630.869863 g/mol
Molecular Formula: C38H59FO6 
Density: 1.12 g/cm3 
Melting Point: 60-65 °C
Boiling Point: 710.1 °C at 760 mmHg 
Flash Point: 383.2 °C
Index of Refraction: 1.537
Molar Refractivity: 174.65 cm3
Molar Volume: 558.9 cm3
Polarizability: 69.23×10-24 cm3
Surface Tension: 46.7 dyne/cm 
Enthalpy of Vaporization: 118.65 kJ/mol
Vapour Pressure: 2.69E-23 mmHg at 25 °C
XLogP3: 9.8
H-Bond Donor: 2
H-Bond Acceptor: 7
Rotatable Bond Count: 18
Tautomer Count: 6
Exact Mass: 630.429568
MonoIsotopic Mass: 630.429568
Topological Polar Surface Area: 101
Heavy Atom Count: 45
Complexity: 1130
Defined Atom StereoCenter Count: 8
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F))C)C)O
Isomeric 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
Classification Code of Dexamethasone palmitate (CAS NO.14899-36-6): Drug / Therapeutic Agent; Hormone; Reproductive Effect

Dexamethasone palmitate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 160mg/kg (160mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING

LIVER: OTHER CHANGES		 Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 3998, 1985.
mouse LD50 intravenous 300mg/kg (300mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.
mouse LD50 oral 510mg/kg (510mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.
mouse LD50 subcutaneous 120mg/kg (120mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.
rat LD50 intravenous 88mg/kg (88mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.
rat LD50 oral 315mg/kg (315mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.
rat LD50 subcutaneous 90mg/kg (90mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 544, 1988.

Dexamethasone palmitate Safety Profile

An experimental teratogen. Other experimental reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of F−.

Dexamethasone palmitate Specification

 Dexamethasone palmitate (CAS NO.14899-36-6) is also named as 9-Fluoro-11,17-dihydroxy-16-methyl-21-((1-oxohexadecyl)oxy)pregna-1,4-diene-3,20-dione (11beta,16alpha)- ; BRN 6031847 ; Dexamethasone 21-palmitate ; Limethason ; Palmitic acid, 21-ester with 9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione ; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((1-oxohexadecyl)oxy)-, (11beta,16alpha)- ; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-palmitate .

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