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Name	Triamcinolone diacetate	EINECS	200-669-0
CAS No.	67-78-7	Density	1.35 g/cm³
PSA	127.20000	LogP	1.76210
Solubility	48mg/L(25 oC)	Melting Point	186-188 °C
Formula	C₂₅H₃₁FO₈	Boiling Point	608.5 °C at 760 mmHg
Molecular Weight	478.515	Flash Point	321.8 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	R10
Molecular Structure		Hazard Symbols	N/A
Synonyms	Pregna-1,4-diene-3,20-dione,9-fluoro-11b,16a,17,21-tetrahydroxy-, 16,21-diacetate (6CI,7CI,8CI);16a,21-Diacetoxy-9a-fluoro-11b,17a-dihydroxy-1,4-pregnadiene-3,20-dione;16a-Hydroxy-9a-fluoroprednisolone diacetate;9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione16,21-diacetate;9a-Fluoro-1,4-pregnadiene-11b,16a,17a,21-tetraol-3,20-dione 16,21-diacetate;9a-Fluoro-16a-hydroxyprednisolone16,21-diacetate;Aristocort Forte;Aristocort diacetate forte;Aristocort diacetateparenteral;Cenacort;Kenacourt;Orion;TAC-D;Tedarol;Tracilon;Triamcinolone 16,21-diacetate;Triamolone 40;D1-9a-Fluoro-16a-hydroxyhydrocortisone diacetate;

Triamcinolone diacetate Synthetic route

: 426-39-1
16α,21-Diacetoxy-9α-fluoro-11β,17α-dihydroxpregn-4-ene-3,20-dione

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
With selenium(IV) oxide
mit Hilfe von Nocardia corallina;

: 96670-24-5
16α,21-diacetoxy-9,11β-epoxy-17-hydroxy-9β-pregna-1,4-diene-3,20-dione

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
With chloroform; hydrogen fluoride

: 98422-57-2, 114417-77-5
16α,21-diacetoxy-9,11β-epoxy-17-hydroxy-9β-pregn-4-ene-3,20-dione

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: CHCl3; HF 2: mit Hilfe von Nocardia corallina View Scheme

: 1171-81-9
11β,16α,17,21-tetrahydroxy-pregn-4-ene-3,20-dione

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: mit Hilfe von Corynebacterium simplex oder Nocardia corallina 2: pyridine 3: SOCl2; pyridine 4: aqueous HClO4; dioxane 5: potassium acetate; ethanol 6: CHCl3; HF View Scheme

: 13951-70-7
desonide

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: pyridine 2: SOCl2; pyridine 3: aqueous HClO4; dioxane 4: potassium acetate; ethanol 5: CHCl3; HF View Scheme

: 23460-76-6
21-acetoxy-pregna-4,9(11),16-triene-3,20-dinone

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: KMnO4 2: pyridine 3: aqueous HClO4; dioxane 4: potassium acetate; ethanol / Behandeln einer Loesung des Reaktionsprodukts in Pyridin mit Acetanhydrid 5: CHCl3; HF 6: mit Hilfe von Nocardia corallina View Scheme

: 74220-43-2
21-Acetoxy-16α,17α-dihydroxy-4,9(11)-pregnadien-3,20-dion

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: pyridine 2: aqueous HClO4; dioxane 3: potassium acetate; ethanol / Behandeln einer Loesung des Reaktionsprodukts in Pyridin mit Acetanhydrid 4: CHCl3; HF 5: mit Hilfe von Nocardia corallina View Scheme

: 95943-95-6
16α,21-diacetoxy-17-hydroxy-pregna-1,4,9(11)-triene-3,20-dione

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aqueous HClO4; dioxane 2: potassium acetate; ethanol 3: CHCl3; HF View Scheme

: 98422-55-0
16α,21-diacetoxyprednisolone

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: SOCl2; pyridine 2: aqueous HClO4; dioxane 3: potassium acetate; ethanol 4: CHCl3; HF View Scheme

: 7333-34-8
16α,21-diacetoxy-11β,17-dihydroxy-pregn-4-ene-3,20-dione

: 67-78-7
triamcinolone diacetate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: SeO2 2: SOCl2; pyridine 3: aqueous HClO4; dioxane 4: potassium acetate; ethanol 5: CHCl3; HF View Scheme

Triamcinolone diacetate Specification

The IUPAC name of Aristocort diacetate is [2-[(8S,9R,10S,11S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate. With the CAS registry number 67-78-7, it is also named as Triamcinolone diacetate. The product's classification codes are Drug / Therapeutic Agent; Enzyme inhibitors; Glucocorticoid; Reproductive Effect. Besides, it is lysyl oxidase antagonist. In addition, its molecular formula is C₂₅H₃₁FO₈ and molecular weight is 478.51.

The other characteristics of Aristocort diacetate can be summarized as: (1)EINECS: 200-669-0; (2)ACD/LogP: 2.16; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.16; (5)ACD/LogD (pH 7.4): 2.16; (6)ACD/BCF (pH 5.5): 25.76; (7)ACD/BCF (pH 7.4): 25.76; (8)ACD/KOC (pH 5.5): 356.1; (9)ACD/KOC (pH 7.4): 356.04; (10)#H bond acceptors: 8; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 8; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 116.31 cm³; (15)Molar Volume: 352.9 cm³; (16)Surface Tension: 56.2 dyne/cm; (17)Density: 1.35 g/cm³; (18)Flash Point: 321.8 °C; (19)Melting Point: 186-188 °C; (20)Enthalpy of Vaporization: 103.69 kJ/mol; (21)Boiling Point: 608.5 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC(=O)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3OC(=O)C)C)C)C
(2)InChI: InChI=1/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1
(3)InChIKey: XGMPVBXKDAHORN-RBWIMXSLBJ

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