16α-Hydroxyprednisolone is a metabolite generated by the CYP3A enzyme in the 22(R) epimer configuration of the glucocorticoid budesonide.

Physicochemical Properties

Molecular Formula	C21H28O6
Molecular Weight	376.44
Exact Mass	376.188
CAS #	13951-70-7
PubChem CID	11047056
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	591.5±50.0 °C at 760 mmHg
Melting Point	235-238ºC
Flash Point	325.6±26.6 °C
Vapour Pressure	0.0±3.8 mmHg at 25°C
Index of Refraction	1.630
LogP	0.95
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	27
Complexity	756
Defined Atom Stereocenter Count	8
SMILES	O([H])[C@@]1(C(C([H])([H])O[H])=O)[C@]([H])(C([H])([H])[C@]2([H])[C@@]3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])=C([H])[C@@]4(C([H])([H])[H])[C@]3([H])[C@@]([H])(C([H])([H])[C@]21C([H])([H])[H])O[H])=O)O[H]
InChi Key	SEKYBDYVXDAYPY-ILNISADRSA-N
InChi Code	InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1
Chemical Name	(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-Trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Synonyms	16alpha Hydroxyprednisolone16alpha-Hydroxyprednisolone OH PRED OH-PRED
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~265.65 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.64 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.64 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.64 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6565 mL	13.2823 mL	26.5647 mL
	5 mM	0.5313 mL	2.6565 mL	5.3129 mL
	10 mM	0.2656 mL	1.3282 mL	2.6565 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.