Beclomethasone 17-Monopropionate
Basic information
- CAS
5534-18-9- Standard SMILES
CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C- InChIKey
OHYGPBKGZGRQKT-XGQKBEPLSA-N- Molecular formula
- C25H33ClO6
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 464.1965665
Overview
An ester of beclomethasone.
Names & identifiers
- Preferred name
- Beclomethasone 17-Monopropionate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-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
- Beclomethasone 17-propionate
- Molecular formula
- C25H33ClO6
- Molecular weight
- 464.98
Names & synonyms
Beclomethasone 17-Propionate5534-18-9Beclomethasone 17-monopropionate17-BMPBeclomethasone-17-monopropionate5BGA9FD55HDTXSID20203899RefChem:58390DTXCID00126390(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl propanoate226-888-19-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate
Show more names
Beclomethasone Impurity 2Beclometasone Impurity 15Beclomethasone EP Impurity HBECLOMETHASONE 17-MONO PROPIOTED5-Beclomethasone 17-Propionate9-Chloro-11beta,21-dihydroxy-16betaBeclomethasone Propionate Impurity H
[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionateUNII-5BGA9FD55H9-Chloro-11beta,21-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-17-yl Propanoate (Beclometasone 17-Propionate)Beclomethasone-17-monopropionate;17-BMPEINECS 226-888-1Beclomethasone dipropionate EP Impurity HBeclometasone 17-Propionate
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 925
Physicochemical properties
- Melting point
- 124 · 124-126C
- Boiling point
- 608.9 · 608.9±55.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 100 mg/mL · DMSO: 100 mg/mL (215.06 mM)
- form
- Solid
- pka
- 12.98 · 12.98±0.10(Predicted)
- color
- White to Light Yellow
- InChIKey
- OHYGPBKGZGRQKT-MVAAQJHONA-N
- SMILES
- C1(=O)C=C2[C@](C)(C=C1)C1(Cl)[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](OC(=O)CC)(C(=O)CO)[C@@H](C)C3)CC2 |&1:4,10,12,14,16,19,29,r|
- FDA UNII
- 5 BGA9FD55H · 5BGA9FD55H
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 341 · H341-H302
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29162090
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H341-H302
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionBeclomethasone 17-propionate is a glucocorticoid receptor agonist and an active metabolite of the glucocorticoid prodrug beclomethasone dipropionate. It can effectively inhibit cytokine production in lung macrophages of chronic obstructive pulmonary disease (COPD) and can be used in the study of diseases related to respiratory inflammation.
UsesActive metabolite of Beclomethasone Dipropionate (BDP).
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…