Betamethason

Celestone

HCID 3003CAS 378-44-9

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Grundinformationen

Standard-SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO
InChIKey: UREBDLICKHMUKA-UHFFFAOYSA-N
Summenformel: C22H29FO5
Durchschnittliche Molmasse: 392,5 g/mol
Monoisotopische Masse: 392,19990218

Namen und Bezeichner

Bevorzugter Name: Celestone
IUPAC: 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Lokaler Name: Betamethason
Englischer Name: Betamethasone
Summenformel: C22H29FO5
Molmasse: 392.47

Namen und Synonyme

CelestoneHormezonBebate.beta.-Methasone9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one.beta.-Methasone alcoholC22H29FO59-Fluoro-16.beta.-methylprednisolonePrednisolone, 9-fluoro-16.beta.-methyl-GF120918A9.alpha.-Fluoro-16.beta.-methylprednisolone9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Weitere Namen anzeigen

BetamethasonBetametasonebetamethasone standardC22H29O5FDermabet17,21-trihydrFLUBENISOLONEBetamethazoneDexamethasone EP Impurity B

MLS000686794Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16.beta.-methyl-SCHEMBL2757815CHEBI:93851HMS3259J08HMS3267M14HMS5079A12HMS5079N09

Datenbank-Bezeichner

CAS: 378-44-9
PubChem CID: 3003
ChEBI: CHEBI:93851

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 94,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 28
Formalladung: 0
Komplexität: 805

Physikochemische Eigenschaften

Schmelzpunkt: 235 · 235-237°C
Siedepunkt: 568.2 · 568.2±50.0 °C(Predicted)
Dichte: 1.1283 · 1.1283 (estimate)
Brechungsindex: 118 ° · 118 ° (C=1, Dioxane)
storage temp.: 0 · 0-6°C
Löslichkeit: Practically insoluble in water, sparingly soluble in anhydrous ethanol, very slightly soluble in methylene chloride.
pka: 12.13 · 12.13±0.70(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
Biologische Quelle: synthetic (organic)
Wasserlöslichkeit: 58 mg/L · 58mg/L(25 ºC)
Merck: 14 · 14,1180
InChIKey: UREBDLICKHMUKA-DVTGEIKXSA-N
SMILES: [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C
LogP: 2.01 at · 2.01 at 25℃
CAS Datenbank: 378 · 378-44-9(CAS DataBase Reference)
NIST chemische Informationen: -1 · Pregna-1,4-diene-3,20-dione, 9alpha-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-(378-44-9)
EPA chemische Informationen: -1 · Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11.beta.,16.beta.)- (378-44-9)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 2
hs_code: 29379000
RTECS-Nr.: TU4000000
risk_code: 40-48/20/21-61
Toxizität: LD50 oral in mouse: > 4500mg/kg
hazard_code: Xi,Xn,T
safety_code: 22-36-45-53
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Giftige Stoffe Daten: 378-44-9(Hazardous Substances Data)
Hazard Classifications: Repr. 1BSTOT RE 2

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungShortly after the introduction of dexamethasone, betamethasone, which differs from dexamethasone only in configuration of the 16-methyl group, was made available for the treatment of rheumatic diseases and dermatologic disorders. This analogue, which contains a 16β-methyl group, has received sufficient clinical trial examination to indicate that it is as effective as dexamethasone or, perhaps, even slightly more active. Although this drug has been reported to be less toxic than other steroids, some clinical investigators suggest that it is best used for short-term therapy.

VerwendenBetamethasone is a glucocorticoid used as an anti-inflammatory agent.