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Cortisone Acetate

CAT: 1596-AR-C03570-04Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03570-04Size:250 Units
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CAS Number
50-04-4
Synonyms
2- ((8S,9S,10R,13S,14S,17R) -17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl acetate;17,21-Dihydroxypregn-4-ene-3,11,20-trione 21 acetate; Cortone 21-Acetate; 21-Acetoxy-17?-hydroxy-3,11,20-triketopregnene-4; Cortone Acetate; 21-Acetoxy-17?-hydroxypregn-4-ene-3,11,20-trione; Irisone acetate; NSC 49420; 4-Pregnene-17a,21-diol-3,11,20-trione 21-Acetate; Adreson; Artriona; Biocort Acetate; Compound E Acetate; Corlin; Cortadren; Cortelan; Cortistab; Cortisyl; Cortisyl Artriona; Incortin; Ricortex; Scheroson; Hydrocortisone Acetate EP Impurity D; Cortisone Acetate
Molecular Formula
C23H30O6
Molecular Weight
402.49
API Name
Cortisol

Chemical Information

Cortisone Acetate

Cortisone acetate is a corticosteroid hormone.

CAS Number50-04-4
PubChem CID5745
IUPAC Name[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC23H30O6
Molecular Weight402.5
XLogP2.1
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity827
SMILES
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
InChIKey
ITRJWOMZKQRYTA-RFZYENFJSA-N
Chemical Structure
2D Structure
2D structure of Cortisone Acetate
CAS: 50-04-4
CID: 5745
Formula: C23H30O6
MW: 402.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass402.20423867
Monoisotopic Mass402.20423867
Topological Polar Surface Area97.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity827
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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Alternative Products

CatalogName
B1919-5.1Cortisone acetate

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