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Deoxycorticosterone acetate

CAT: 0013-GTR19171530-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171530-01Size:50 mg
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Description
Deoxycorticosterone acetate
CAS Number
56-47-3
Product Name Alternative
Cortexone, Cortexone Acetate, Cortexone acetate, DOC, DOC Acetate, DOC acetate, Deoxycorticosterone, Deoxycorticosterone Acetate, Deoxycorticosterone acetate, 11-Deoxycorticosterone, 11-Deoxycorticosterone Acetate, 11-Deoxycorticosterone acetate, aldosterone, adrenocortin, AdrenergicReceptor, Adrenergic Receptor, glomerular injury and proteinuria, EndogenousMetabolite, Endogenous Metabolite, fibrosis, Glucocorticoid Receptor, GlucocorticoidReceptor, Inhibitor, inhibit, Mineralocorticoid Receptor, renal inflammation, precursor, unilateral nephrectomy
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
99.00% (May vary between batches)
Solubility
DMSO:13.47 mg/mL (36.16 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.68 mM) ; Ethanol:12.5 mg/mL (33.56 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
[H][C@@]12CC[C@H] (C (=O) COC (C) =O) [C@@]1 (C) CC[C@@]1 ([H]) [C@@]2 ([H]) CCC2=CC (=O) CC[C@]12C
Molecular Formula
C23H32O4
Molecular Weight
372.50
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deoxycorticosterone acetate

Deoxycorticosterone acetate is a corticosteroid hormone.

CAS Number56-47-3
PubChem CID5952
IUPAC Name[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC23H32O4
Molecular Weight372.5
XLogP3.1
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity707
SMILES
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1
InChIKey
VPGRYOFKCNULNK-ACXQXYJUSA-N
Chemical Structure
2D Structure
2D structure of Deoxycorticosterone acetate
CAS: 56-47-3
CID: 5952
Formula: C23H32O4
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass372.23005950
Monoisotopic Mass372.23005950
Topological Polar Surface Area60.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS3605053-01Deoxycorticosterone acetate
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