11β,16α,17,21-Tetrahydroxypregna-1,4-dien-3,20-dion
16alpha-Hydroxyprednisolone
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Grundinformationen
- CAS
13951-70-7- Standard-SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO- InChIKey
SEKYBDYVXDAYPY-ILNISADRSA-N- Summenformel
- C21H28O6
- Durchschnittliche Molmasse
- 376,4 g/mol
- Monoisotopische Masse
- 376,18858862
Namen und Bezeichner
- Bevorzugter Name
- 16alpha-Hydroxyprednisolone
- IUPAC
- (8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
- Lokaler Name
- 11β,16α,17,21-Tetrahydroxypregna-1,4-dien-3,20-dion
- Englischer Name
- 11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
- Summenformel
- C21H28O6
- Molmasse
- 376.44
Namen und Synonyme
16alpha-Hydroxyprednisolone13951-70-7EINECS 237-731-1UNII-SW97540DC2SW97540DC2EC 237-731-1BUDESONIDE IMPURITY A [EP IMPURITY]Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11beta,16alpha)-Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-BUDESONIDE IMPURITY A (EP IMPURITY)RefChem:7907716.ALPHA.-HYDROXYPREDNISOLONE
Weitere Namen anzeigen
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-diMethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one16α-hydroxy-prednisoloneBudesonide EP Impurity A11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione16-ALPHA-HYDROXY PREDNISOLONE11β,16α,17α,21-Tetrahydroxypregna-1,4-diene-3,20-dione16b20-dione4-diene-3
237-731-116|A-HydroxyprednisoloneOH-PREDC21H28O6MFCD00872019(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione11a,16b,17,21-Tetrahydroxy-pregna-1,4-diene-3,20-dione
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 115 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 756
Physikochemische Eigenschaften
- Schmelzpunkt
- 235 · 235-238°C
- Siedepunkt
- 591.5 · 591.5±50.0 °C(Predicted)
- Dichte
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 11.93 · 11.93±0.70(Predicted)
- Farbe
- White to Light Yellow
- Wasserlöslichkeit
- 815 mg/L · 815mg/L at 20℃
- Major Application
- pharmaceutical
- InChIKey
- SEKYBDYVXDAYPY-WVOWJGHQNA-N
- SMILES
- [C@@]12([H])C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@]1([H])[C@@]3(C)C=CC(=O)C=C3CC[C@@]21[H] |&1:0,3,5,11,14,16,18,28,r|
- LogP
- 0.8 at · 0.8 at 25℃
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
This chemical does not meet GHS hazard criteria for 10.3% (4 of 39) of reports.
Danger
H360 (23.1%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P260, P263, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 10-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27416
Hazard Classes and CategoriesRepr. 1A (23.1%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Repr. 1B
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
上海策嵘生物科技有限公司[email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
山东雨禾医药科技有限公司15263077727 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
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