6beta-Hydroxybetamethasone 17-propionate
Completing data — refresh the page later to see the latest
Basic information
- CAS
78144-00-0- Standard SMILES
CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C- InChIKey
MSINRSAEEWODSQ-JATWPNACSA-N- Molecular formula
- C25H33FO7
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.22103155
Names & identifiers
- Preferred name
- 6beta-Hydroxybetamethasone 17-propionate
- IUPAC
- [(6R,8S,10S,11S,13S,14S,16S,17R)-9-fluoro-6,11-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- English name
- 6 beta-hydroxybetamethasone 17-propionate
- Molecular formula
- C25H33FO7
- Molecular weight
- 464.53
Names & synonyms
6beta-Hydroxybetamethasone 17-propionate78144-00-06-Bhbp[(6R,8S,10S,11S,13S,14S,16S,17R)-9-fluoro-6,11-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoatePregna-1,4-diene-3,20-dione, 9-fluoro-6,11,21-trihydroxy-16-methyl-17-(1-oxopropoxy)-, (6beta,11beta,16beta)-6 beta-hydroxybetamethasone 17-propionatePregna-1,4-diene-3,20-dione, 9-fluoro-6,11,21-trihydroxy-16-methyl-17-(1-oxopropoxy)-, (6β,11β,16β)- (9CI)
Database identifiers
- CAS
78144-00-0- PubChem CID
- 166501
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 958
Physicochemical properties
- Boiling point
- 619.4 · 619.4±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.74 · 12.74±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…