9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
Basic information
- CAS
23961-95-7- Standard SMILES
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C34OC4CC2(C)C1(O)C(=O)CO- InChIKey
NMNNKCZINHXRCS-UHFFFAOYSA-N- Molecular formula
- C22H27FO5
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.18425212
Names & identifiers
- Preferred name
- 9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
- IUPAC
- 8-fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
- English name
- 9beta,11beta-epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
- Molecular formula
- C22H27FO5
- Molecular weight
- 390.45
Names & synonyms
EINECS 245-956-123961-95-78-fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dioneDTXSID909468076-Fluoro-17,21-dihydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dioneFluticasone Impurity 70Fluticasone Propionate Impurity 279β,11β-Epoxy-6α-fluoro-17,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 9,11-epoxy-6-fluoro-17,21-dihydroxy-16-methyl-, (6α,9β,11β,16α)-(4aS,4bS,5aS,6aS,7R,8R,9aS,9bS,11S)-11-fluoro-7-hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one(4aS,4bS,5aS,6aS,7R,8R,9aS,9bS,11S)-11-fluoro-7-hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one(WXG01285)
Show more names
(4aS,4bS,5aS,6aS,7R,8R,9aS,11S)-11-Fluoro-7-hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one (Fluticasone Impurity 48)
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 850
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