9-Fluor-11β,21-dihydroxy-16α,17-(isopropylidendioxy)pregna-1,4-dien-3,20-dion-21-acetat

21-(Acetyloxy) TriaMcinolone Acetonide · BNKY017-TA03 · 9-fluoro-11β · Thannad acetate · 20-dione 21-acetate · Triamcinolone aceton · Triamcinolone Impurity F · Triamcinolone impurity I

https://huagongshe.com/de/chemical/15482000

Molekülstruktur von 9-Fluor-11β,21-dihydroxy-16α,17-(isopropylidendioxy)pregna-1,4-dien-3,20-dion-21-acetat

Identifikatoren & physikalische Daten

CAS No.	3870-07-3
Summenformel	C26H33FO7
Durchschnittliche Molmasse	476,5 g/mol
Monoisotopische Masse	476,22103155 g/mol
SMILES	CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
InChIKey	VOBDXTSTTMAKHK-VHDCPBDGSA-N
PubChem CID	15482000
EC No.	223-388-5
DTXSID	DTXSID20959526
Lokaler Name	9-Fluor-11β,21-dihydroxy-16α,17-(isopropylidendioxy)pregna-1,4-dien-3,20-dion-21-acetat

Chemische & physikalische Eigenschaften

XLogP	3,1
Polarare Oberfläche (TPSA)	99,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	4
Schwere Atome	34
Formalladung	0
Komplexität	1.030
Schmelzpunkt	266 °C
Siedepunkt	589.4±50.0 °C(Predicted)
Dichte	1.31±0.1 g/cm3(Predicted)
Lagerbedingungen	Refrigerator
Löslichkeit	Chloroform (Slightly, Sonicated), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	13.10±0.70(Predicted)
Farbe	White to Off-White
InChIKey	VOBDXTSTTMAKHK-AJGDGBNYNA-N
SMILES	C([C@@]12OC(C)(C)O[C@]1([H])C[C@@]1([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C)(=O)COC(=O)C \|&1:1,7,10,12,22,24,26,29,r\|
CAS Datenbank	3870-07-3

Sicherheit & Vorschriften

GHS-Einstufung	WarningH361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Regulatorische Informationen	REACH registered substance: 9-fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate (EC: 223-388-5)
Hazard Classes and Categories	Repr. 2 (100%)
Zollcode	29147000
Sicherheitshinweise (S)	24/25

Anwendungen & Verwendung

Verwenden

Triamcinolone acetonide 21-acetate is derivative of Triamcinolone Acetonide, a glucocorticoid, antiasthmatic (inhalant).It also can be used for eczema and dermatitis and is currently a long-acting glucocorticoid drug widely applied in the dermatology clinical application of China.