9-Fluor-11β,17,21-trihydroxy-16β-methylpregna-1,4-dien-3,20-dion-17-valerat
Betamethasone Valerate
Grundinformationen
- CAS
2152-44-5- 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(F)[C@@H](O)C[C@@]21C- InChIKey
SNHRLVCMMWUAJD-SUYDQAKGSA-N- Summenformel
- C27H37FO6
- Durchschnittliche Molmasse
- 476,6 g/mol
- Monoisotopische Masse
- 476,25741712
Überblick
Betamethasone valerate is a steroid ester that is betamethasone in which the hydroxy group at the 17alpha position has been converted to the corresponding pentanoate ester. It has a role as an anti-inflammatory drug. It is a primary alpha-hydroxy ketone, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a steroid ester, a fluorinated steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a betamethasone.
Namen und Bezeichner
- Bevorzugter Name
- Betamethasone Valerate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-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
- Lokaler Name
- 9-Fluor-11β,17,21-trihydroxy-16β-methylpregna-1,4-dien-3,20-dion-17-valerat
- Englischer Name
- Betamethasone 17-valerate
- Summenformel
- C27H37FO6
- Molmasse
- 476.58
Namen und Synonyme
BETAMETHASONE VALERATEBetamethasone 17-valerate2152-44-5Valisonebeta-ValBetadermTokudermLuxiqBetatrexDermabetValnacRinderon V
Weitere Namen anzeigen
BETNOVATEBETHAMETASONE VALERATEBetoidValison9α-FluoDeviphos
BextasolStanovalDTXSID7022673BettamousseBetamethasone (as valerate)9IFA5XM7R2Betamethasoni valerasNSC-755912
Datenbank-Bezeichner
- CAS
2152-44-5- PubChem CID
- 16533
- DTXSID
DTXSID7022673- ChEMBL
CHEMBL1497- ChEBI
CHEBI:31277- UNII
- 9IFA5XM7R2
- EC Number
- 218-439-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 957
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Dermatologicals -> Corticosteroids, dermatological preparations
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsActive Ingredients (Betamethasone Valerate) -> FDA Greenbook
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
215.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7022673]
214 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 183 · 183-184°
- Siedepunkt
- 598.9 · 598.9±50.0 °C(Predicted)
- Dichte
- 1.1174 · 1.1174 (estimate)
- storage temp.
- 2 · 2-8°C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H330 (35.6%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P203, P260, P264, P270, P271, P273, P280, P284, P304+P340, P316, P318, P319, P320, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationBetamethasone valerate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11.beta.,16.beta.)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 2 (35.6%)
Sicherheitsdaten
- wgk
- WGK 2
- hs_code
- 2937229000
- RTECS-Nr.
- TU3835000
- risk_code
- 48
- Toxizität
- mouse,LD50,intraperitoneal,632mg/kg (632mg/kg),Shikoku Igaku Zasshi. Shikoku Medical Journal. Vol. 29, Pg. 153, 1973.
- hazard_code
- Xn
- safety_code
- 22-24/25
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
BETAMETHASONE VALERATE
Corticosteroid Hormone Receptor Agonists [MoA]; Corticosteroid [EPC]
BETAMETHASONE VALERATE FOAM
Corticosteroid [EPC]; Corticosteroid Hormone Receptor Agonists [MoA]
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.
Verwendung und Herstellung
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: Betamethasone valerate is a steroid ester that is betamethasone in which the hydroxy group at the 17alpha position has been converted to the corresponding pentanoate ester. It has a role as an anti-inflammatory drug. It is a steroid ester, a 20-oxo steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a fluorinated steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a primary alpha-hydroxy ketone. It is functionally related to a betamethasone.
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