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Molecule
Hydrocortisone Acetate
CAS: 50-03-3 · C23H32O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 50-03-3
- Molecular Formula
- C23H32O6
- Molecular Mass
- 404.50 g/mol
Identifiers
CAS Registry Number
50-03-3
SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI Key
ALEXXDVDDISNDU-JZYPGELDSA-N
InChI
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
Names and Synonyms
- Hydrocortisone Acetate Common Name
- Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11β)- Synonym
- Cortisol acetate Synonym
- Cortisol, 21-acetate Synonym
- (11β)-21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione Synonym
- 21-Acetoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione Synonym
- Cortef acetate Synonym
- Cortril acetate Synonym
- HA Synonym
- Hycortole acetate Synonym
- Hydrin 2 Synonym
- Hydrocortisat Synonym
- Hydrocortisone 21-acetate Synonym
- Hydrocortisone acetate Synonym
- Hydrocortone acetate Synonym
- 17-Hydroxycorticosterone 21-acetate Synonym
- Isopto-Hydrocortisone Synonym
- Pabracort Synonym
- 11β,17α,21-Trihydroxypregn-4-ene-3,20-dione 21-acetate Synonym
- Hydroxycorticosterone acetate Synonym
- 21-Acetoxy-11β,17-dihydroxypregn-4-ene-3,20-dione Synonym
- 21-Acetoxy-11β,17-dihydroxypregn-4-en-3,20-dione Synonym
- Hydrocortistab Synonym
- 17α-Hydroxycorticosterone acetate Synonym
- Abbocort Synonym
- Bambicort Synonym
- Berlison F Synonym
- Biocortar Synonym
- Chemysone Synonym
- Cortacream Synonym
- Cortell Synonym
- Wycort Synonym
- Proctocort Synonym
- Velopural Synonym
- Hc 45 Synonym
- Lenirit Synonym
- Sigmacort Synonym
- Cortaid Synonym
- Sintotrat Synonym
- Colifoam Synonym
- Cortril acetate AS Synonym
- Colofoam Synonym
- Efcolin Synonym
- CaldeCort Synonym
- Hydrocal Synonym
- Anusol HC Synonym
- Cordes Synonym
- Cortifoam Synonym
- Lanacort Synonym
- NSC 741 Synonym
- Corticaine Synonym
- Hydrocort acetate Synonym
- 4-Pregnene-11β,17,21-triol-3,20-dione 21-acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 404.50 g/mol | CAS Common Chemistry |
| 404.5030000000002 g/mol | RDKit | |
| 404.503 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C | CAS Common Chemistry |
| InChI | 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ALEXXDVDDISNDU-JZYPGELDSA-N | CAS Common Chemistry |
| Melting Point | 223 °C (decomp) | CAS Common Chemistry |
| Name | Hydrocortisone acetate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.90000000000002 Ų | RDKit |
| 100.9 Ų | RDKit | |
| LogP | 2.3524000000000003 | RDKit |
| 2.3524 | RDKit | |
| Molar Refractivity | 104.68960000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7826 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 404.219888744 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 404.50 g/mol. Edit any field — others recompute live.
