Basic information
- CAS
10549-91-4- Standard SMILES
CCCC(=O)OCC(=O)[C@@]1(OC(=O)CCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C- InChIKey
HUXCOHMTWUSXGY-GAPIFECDSA-N- Molecular formula
- C30H40Cl2O6
- Average molar mass
- 567.5 g/mol
- Monoisotopic mass
- 566.2201944
Overview
Meclorisone dibutyrate is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Meclorisone Dibutyrate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-butanoyloxy-9,11-dichloro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate
- English name
- 9,11beta-dichloro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(butyrate)
- Molecular formula
- C30H40Cl2O6
- Molecular weight
- 567.54
Names & synonyms
Meclorisone dibutyrate10549-91-4Sch-11572Sch 11572871V0CE38CRefChem:15621016ALPHA-METHYL-DICHLORISONE234-132-7NSC-92353Meclorisone dibutyrate [USAN][2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-butanoyloxy-9,11-dichloro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate9,11beta-Dichloro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(butyrate)
Show more names
Meclorisone9,11β-Dichloro-16α-methyl-17,21-bis(1-oxobutoxy)pregna-1,4-diene-3,20-dione9,11β-dichloro-17,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 17,21-di(butyrate)Pregna-1,4-diene-3,20-dione, 9,11-dichloro-16-methyl-17,21-bis(1-oxobutoxy)-, (11β,16α)-9,11b-Dichloro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(butyrate)
9,11beta-Dichloro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione dibutyrateMeclorisone dibutyrate (USAN)UNII-871V0CE38CEINECS 234-132-7SCHEMBL42454CHEMBL2106423DTXSID80909562CHEBI:177414
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,080
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 641.5 · 641.5±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- FDA UNII
- 871 V0CE38C · 871V0CE38C
Chemistry & industry
Applications
UsesAnti-inflammatory (topical).
UsesMeclorisone Dibutyrate is used in the optimization of the bioavailability of topical steroids in humans using the thermodynamic control.
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Meclorisone dibutyrate is a corticosteroid hormone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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