Beclomethasone valerate

HCID 104262

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Basic information

CAS: 52619-18-8
Standard SMILES: CCCCC(=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: CYBACPSHBXABHX-SUYDQAKGSA-N
Molecular formula: C27H37ClO6
Average molar mass: 493 g/mol
Monoisotopic mass: 492.2278666

Names & identifiers

Preferred name: Beclomethasone valerate
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] pentanoate
English name: Betamethasone Valerate EP Impurity H
Molecular formula: C27H37ClO6
Molecular weight: 493.03

Names & synonyms

52619-18-8beclomethasone valerateBeclomethasone 17-ValerateBetamethasone Valerate EP Impurity H9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerateY75EGH2Q6J[(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] pentanoate(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 pentanoateBetamethasone Valerate Impurity HEINECS 258-050-6UNII-Y75EGH2Q6Jorb3181164

Show more names

Beclometasone-17-ValerateCocaine Hydrochloride Impurity 8Betamethasone Valerate Impurity 8 (Betamethasone Valerate EP Impurity H)9-Chloro-11β,21-dihydroxy-16β-methyl-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dioneBetamethasone Valerate impurity 6/Betamethasone Valerate EP Impurity H/Beclomethasone 17-ValeratePregna-1,4-diene-3,20-dione, 9-chloro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11β,16β)-

SCHEMBL1217307Betamethasone valerate Impurity 1DTXSID70967055AKOS030242379FC156893NS00057225H51961F569350

Database identifiers

CAS: 52619-18-8
PubChem CID: 104262
DTXSID: DTXSID70967055
UNII: Y75EGH2Q6J
EC Number: 258-050-6
Nikkaji: J295.751E

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 957

Physicochemical properties

Melting point: 195 · 195-197°C
Boiling point: 626.937 · 626.937±55.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.268 · 1.268±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 12.976 · 12.976±0.10(predicted)
color: White to Off-White
FDA UNII: 75 EGH2Q6J · Y75EGH2Q6J
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesBeclomethasone 17-Valerate is a derivative of Beclomethasone (B131000), an glucocorticord used in chronic asthma and allergic rhinitis.

Suppliers24 total

上海科骊科生物技术有限公司021-34975789 18721102763 · [email protected]

廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]

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