Basic information
- CAS
1499-59-8- Standard SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C- InChIKey
AZCNJEFLSOQGST-LPEMZKRWSA-N- Molecular formula
- C23H32O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.21988874
Names & identifiers
- Preferred name
- Dihydrocortisone acetate
- IUPAC
- [2-[(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- 17-alpha,21-dihydroxy-5-beta-pregnane-3,11,20-trione 21-acetate
- Molecular formula
- C23H32O6
- Molecular weight
- 404.49658
Names & synonyms
1499-59-8dihydrocortisone acetate5b-Dihydrocortisone Acetate 21-Acetate5beta-Dihydrocortisone acetate 21-acetate[2-[(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate5|A-Dihydrocortisone acetateV3B5QZ569N17-alpha,21-Dihydroxy-5-beta-pregnane-3,11,20-trione 21-acetateNSC-228435|A-Dihydrocortisone Acetate 21-AcetateDihydrocortisone 21-acetateNSC 22843
Show more names
L 491297-0Hydrocortisone Impurity 465β-Dihydrocortisone Acetate 21-Acetate5β-PREGNAN-17, 21-DIOL-3, 11, 20-TRIONE 21-ACETATE21-Acetyloxy-17-hydroxy-5β-pregnane-3,11,20-trione5β-Dihydrocortisone acetate 21-acetate, CAS 1499-59-817,21-Dihydroxy-5β-pregnane-3,11,20-trione 21-Acetate
UNII-V3B5QZ569NPregnane-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-, (5.beta.)-17,21-Dihydroxy-5beta-pregnane-3,11,20-trione 21-Acetate; L 491297-0; NSC 22843(2-((5R,8S,9S,10S,13S,14S,17R)-17-HYDROXY-10,13-DIMETHYL-3,11-DIOXO-1,2,4,5,6,7,8,9,12,14,15,16-DODECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)-2-OXOETHYL) ACETATEEINECS 216-111-4J206.705FDTXSID401191381NSC22843
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 773
Physicochemical properties
- Melting point
- 202 · 202-206°C
- Boiling point
- 556.1 · 556.1±50.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.34 · 12.34±0.60(Predicted)
- color
- Light Tan
- FDA UNII
- 3 B5QZ569N · V3B5QZ569N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesCortisone (C696500) derivative.
Upstream & downstream products
Downstream products
Suppliers13 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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