Structure Database (LMSD)
Common Name
Cortisol 21-acetate
Systematic Name
11β,17,21-trihydroxypregn-4-ene-3,20-dione, 21-acetate
Synonyms
LM ID
LMST02030093
Formula
Exact Mass
Calculate m/z
404.21989
Sum Composition
Status
Curated
3D model of Cortisol 21-acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
Hydrocortisone acetate is a synthetic corticosteroid.1,2 Topical administration of hydrocortisone acetate (0.1% v/v) reduces corneal haze and hydroxyproline levels without reducing the stromal wound healing response in a rabbit model of photorefractive keratectomy.1 Hydrocortisone acetate enhances and reduces cartilage degradation in a mouse model of air pouch cartilage implantation when injected into the air pouch cavity or into the air pouch lining tissue, respectively.2 Formulations containing hydrocortisone acetate have been used in the treatment of joint inflammation and rheumatoid arthritis.
This information has been provided by Cayman Chemical
References
1. Bilgihan, K., Ozdek, S., Ozoğul, C., et al. Topical vitamin E and hydrocortisone acetate treatment after photorefractive keratectomy. Eye (Lond) 14(Pt 2), 231-237 (2000).
String Representations
InChiKey (Click to copy)
ALEXXDVDDISNDU-JZYPGELDSA-N
InChi (Click to copy)
InChI=1S/C23H32O6/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/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
SMILES (Click to copy)
[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)C)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
399.20
Topological Polar Surface Area
100.90
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
3.21
Molar Refractivity
106.20
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Created at
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Updated at
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