3-Chlorofluocinolone acetonide 21-acetate
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Basic information
- CAS
99339-99-8- Standard SMILES
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(F)=C4C=C(Cl)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C- InChIKey
ODRAMFDLVCCUCI-YRCSZXIRSA-N- Molecular formula
- C26H31ClF2O6
- Average molar mass
- 513 g/mol
- Monoisotopic mass
- 512.1777227
Names & identifiers
- Preferred name
- 3-Chlorofluocinolone acetonide 21-acetate
- IUPAC
- [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-chloro-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-oxoethyl] acetate
- English name
- 3-chlorofluocinolone acetonide 21-acetate
- Molecular formula
- C26H31ClF2O6
- Molecular weight
- 512.9705464
Names & synonyms
3-Chlorofluocinolone acetonide 21-acetate3-Cl-FA-Ac99339-99-83-Chlorofluocinolone 16,17-acetonide 21-acetatePregna-1,3,5-trien-20-one, 21-(acetyloxy)-3-chloro-6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-RefChem:93514DTXSID109127412-(2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate3-chloro-6,9-difluoro-1,3,5-pregnatriene-11β,16α,17,21-tetrahydroxy-16,17-acetonide 21-acetate
Database identifiers
- CAS
99339-99-8- PubChem CID
- 127315
- DTXSID
DTXSID10912741
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
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Compound notes
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