Basic information
- CAS
83880-70-0- Standard SMILES
CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
DDIWRLSEGOVQQD-BJRLRHTOSA-N- Molecular formula
- C29H33FO8
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.21594617
Overview
Dexamethasone acefurate is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Dexamethasone acefurate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
- English name
- Dexamethasone
- Molecular formula
- C29H33FO8
- Molecular weight
- 528.57
Names & synonyms
Dexamethasone acefurate83880-70-0Sch 31353[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylateW4N6E1T46BSCH-313539-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate 17-(2-furoate)Betamethasone Impurity 54UNII-W4N6E1T46BDexamethasone acefurate [USAN:INN]Acefurato de dexametasonaAcefurate de dexamethasone
Show more names
DexamethasoneImpurity29DexamethasoneAcefurate USP/EP/BPPregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-, (11β,16α)-
Dexamethasone Impurity 01SCHEMBL139744CHEMBL1697787DTXSID3022900CHEBI:135819Dexamethasone acefurate (USAN/INN)DEXAMETHASONE ACEFURATE [INN]DEXAMETHASONE ACEFURATE [USAN]
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Boiling point
- 649.1 · 649.1±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.88 · 12.88±0.70(Predicted)
- FDA UNII
- 4 N6E1T46B · W4N6E1T46B
Chemistry & industry
Applications
UsesSteroid (topical).
Suppliers11 total
济南百隆化学有限公司[email protected] · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
深圳市森迪生物科技有限公司18126413629 0755-23311925 2355327053 · [email protected]
武汉曙欧科技有限公司17792809151;18872220797 · [email protected]
上海康曼生物科技有限公司18800375331 · [email protected]
麻城市进鑫生物科技有限公司18271582018 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
武汉汇百信科技有限公司17364282875 · [email protected]
Additional notes
DefinitionChEBI: Dexamethasone acefurate is a corticosteroid hormone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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