Grundinformationen
- Standard-SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]- InChIKey
PLCQGRYPOISRTQ-LWCNAHDDSA-L- Summenformel
- C22H28FNa2O8P
- Durchschnittliche Molmasse
- 516,4 g/mol
- Monoisotopische Masse
- 516,13012157
Namen und Bezeichner
- Bevorzugter Name
- Betamethasone Sodium Phosphate
- IUPAC
- disodium;[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
- Lokaler Name
- Pregna-1,4-dien-3,20-dion, 9-Fluor-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, Dinatriumsalz, (11β,16β)-
- Englischer Name
- Betamethasone 21-phosphate disodium
- Summenformel
- C22H28FNa2O8P
- Molmasse
- 516.4
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
151-73-5- PubChem CID
- 65478
- DTXSID
DTXSID8047137- ChEMBL
CHEMBL1200762- ChEBI
CHEBI:3078- UNII
- 7BK02SCL3W
- EC Number
- 205-797-0
- Nikkaji
- J7.409H
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 147 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 961
Physikochemische Eigenschaften
- Schmelzpunkt
- 206 · 206-211°C
- storage temp.
- room temp
- Löslichkeit
- Freely soluble in water, slightly soluble in ethanol (96 per cent), practically insoluble in methylene chloride.
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- PH
- 7.5 · 7.5~9.0(5g/l, 25℃)
- Wasserlöslichkeit
- 50 mg/mL, · water: 50mg/mL, clear to very slightly hazy, faintly yellow
- Merck
- 14 · 14,1180
- Stabilität
- Hygroscopic
- InChIKey
- PLCQGRYPOISRTQ-LWCNAHDDSA-L
- SMILES
- [C@@]12([H])C[C@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@]1(F)[C@@]3(C)C=CC(=O)C=C3CC[C@@]21[H].[Na+].[Na+] |&1:0,3,5,15,18,20,22,32,r|
- EPA chemische Informationen
- .beta.-Methasone disodium phosphate (151-73-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (44.2%): Harmful if swallowed [Warning Acute toxicity, oral];H330 (54.9%): Fatal if inhaled [Danger Acute toxicity, inhalation];H360 (42.5%): May damage fertility or the unborn child [Danger Reproductive toxicity];H360D (15%): May damage the unborn child [Danger Reproductive toxicity];H372 (48.7%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure];H373 (12.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H410 (46.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P260, P264, P270, P271, P273, P280, P284, P301+P317, P304+P340, P316, P318, P319, P320, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Other Safety Information
IMAP assessments - Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11.beta.,16.beta.)-: Environment tier I assessment;IMAP assessments - Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11.beta.,16.beta.)-: Human health tier I assessment
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29372290
- RTECS-Nr.
- TU4056500
- risk_code
- 22
- Toxizität
- LD50 orl-rat: 1877 mg/kg DRUGAY -,1075,90
- hazard_code
- Xn
- safety_code
- 36
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 4 OralRepr. 1BSTOT RE 2
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
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
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An organic sodium salt that is the disodium salt of betamethasone phosphate.
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