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



Classification

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

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

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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Updated at
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