9-α-Fluor-11-β,21-dihydroxy-16-α,17-α-isopropylidendioxypregna-1,4-dien-3,20-dion

TRIAMCINOLONE ACETONIDE ACETATE · Refrigerator · Triam · KENALOG · Triamsinolone acetonide · Triamcinolone acetonide CRS · Fluocinolone Acetonide EP Impurity H · Trymex

https://huagongshe.com/de/chemical/6436

Molekülstruktur von 9-α-Fluor-11-β,21-dihydroxy-16-α,17-α-isopropylidendioxypregna-1,4-dien-3,20-dion

Identifikatoren & physikalische Daten

CAS No.	76-25-5
Summenformel	C24H31FO6
Durchschnittliche Molmasse	434,5 g/mol
Monoisotopische Masse	434,21046693 g/mol
SMILES	CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChIKey	YNDXUCZADRHECN-JNQJZLCISA-N
PubChem CID	6436
ChEMBL	CHEMBL1504
ChEBI	CHEBI:71418
EC No.	200-948-7
DTXSID	DTXSID6021371
Lokaler Name	9-α-Fluor-11-β,21-dihydroxy-16-α,17-α-isopropylidendioxypregna-1,4-dien-3,20-dion

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	93,1
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	2
Schwere Atome	31
Formalladung	0
Komplexität	925
Arzneimittel	Pharmaceuticals -> Dermatologicals -> Corticosteroids, dermatological preparations
LogP (Verteilungskoeffizient)	2.53
Human Drugs	FDA approved drugs -> Active ingredient
Animal Drugs	Active Ingredients (Triamcinolone Acetonide) -> FDA GreenbookPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Endocrine Disruptors	Potential endocrine disrupting compound
Collision Cross Section	290.1 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6021371]197.1 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	274-278°C (dec.)
Siedepunkt	576.9±50.0 °C(Predicted)
Dichte	1.1517 (estimate)
Brechungsindex	1.5980 (estimate)
Lagerbedingungen	Refrigerator
Löslichkeit	Practically insoluble in water, sparingly soluble in ethanol (96 per cent).Soluble in DMSO or ethanol. Slightly soluble in water.
pKa (Säurekonstante)	12.87±0.10(Predicted)
Aggregatzustand	Solid
Farbe	White to Off-White
Merck	9596
BCS Class	4
Stabilität	Combustible. Incompatible with strong oxidizing agents.
InChIKey	YNDXUCZADRHECN-JNQJZLCISA-N
NIST chemische Informationen	Triamcinolone acetonide(76-25-5)
EPA chemische Informationen	Triamcinolone acetonide (76-25-5)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.DangerH302 (12.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Triamcinolone acetonide: Non hazardous
Weitere Sicherheitsinformationen	IMAP assessments - Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11.beta.,16.alpha.)-: Human health tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (12.7%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29372290
RTECS-Nr.	TU3920000
R-Sätze (R)	61
Toxizität	LD50 oral in mouse: 5gm/kg
Gefahrensymbole	T
Sicherheitshinweise (S)	53-45

Anwendungen & Verwendung

Beschreibung

Triamcinolone acetonide is a synthetic corticosteroid. It decreases cytokine levels, the firing rate of sensory neurons, and mechanical hypersensitivity in a rat spinal nerve ligation model when used at a dose of 1.5 mg/kg prior to and following surgery for three days. Triamcinolone acetonide also decreases outflow facility in a mouse model of steroid-induced glaucoma when 20 μl of a 40 mg/ml suspension is administered subconjunctivally. Formulations containing triamcinolone acetonide are used in the treatment of diabetic macular edema.