Naflocort
Basic information
- CAS
80738-47-2- Standard SMILES
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H]4Cc5ccccc5C[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F.O- InChIKey
XBGQGAPUUJJOTA-KWLUMGGGSA-N- Molecular formula
- C29H35FO5
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.24685237
Names & identifiers
- Preferred name
- Naflocort
- IUPAC
- (1S,2S,10S,11R,12S,14S,15S,24S)-11-fluoro-12-hydroxy-15-(2-hydroxyacetyl)-10,14-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-5,8,17,19,21-pentaen-7-one;hydrate
Names & synonyms
Naflocort80738-47-2SQ 26490SQ-264904B52439Y33NaflocortumRefChem:164405SQ-26,4909-fluoro-1',4'-dihydro-11,21-dihydroxy-2'-H-naphtho(2'3':16,17)pregna-1,4-diene-3,20-dioneNaflocort hydrateNaflocort (USAN)NAFLOCORT [USAN]
Show more names
Naflocort [USAN:INN]UNII-4B52439Y33Naflocort monohydrateSCHEMBL120708CHEMBL3989811(1S,2S,10S,11R,12S,14S,15S,24S)-11-fluoro-12-hydroxy-15-(2-hydroxyacetyl)-10,14-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-5,8,17,19,21-pentaen-7-one;hydrate9-Fluoro-1',4'-dihydro-11beta,21-dihydroxy-2'betaH-naphtho(2',3':16,17)pregna-1,4-diene-3,20-dione monohydrateD05104
Database identifiers
- CAS
80738-47-2- PubChem CID
- 6917656
- ChEMBL
CHEMBL2107160、CHEMBL3989811- UNII
- 4B52439Y33
Properties
Computed structural properties
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 987
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Related reactions
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Compound notes
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