CAS No.514-36-3,Fludrocortisone acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	514-36-3
Name:	Fludrocortisone acetate

Formula:	C₂₃H₃₁FO₆
Molecular Weight:	422.494
Synonyms:	Fludrocortisone Acetate;Corticosterone,9-fluoro-17-hydroxy-, 21-acetate (6CI);Pregn-4-ene-3,20-dione, 9-fluoro-11b,17,21-trihydroxy-, 21-acetate(7CI,8CI);9-Fluorohydrocortisone acetate;9a-Fluoro-11b,17a,21-trihydroxypregn-4-ene-3,20-dione21-acetate;9a-Fluorocortisol21-acetate;9a-Fluorocortisolacetate;9a-Fluorohydrocortisone 21-acetate;9a-Fluorohydrocortisone acetate;Alflorone acetate;Cortineff;Fludrocortisone 21-acetate;Fludrocortisoneacetate;NSC 15186;Scherofluron;U 4845;
EINECS:	208-180-4
Density:	1.3 g/cm³
Melting Point:	233-234 °C
Boiling Point:	575.1 °C at 760 mmHg
Flash Point:	301.6 °C
Solubility:	54mg/L(25 oC)
Appearance:	Crystalline solid
Hazard Symbols:	Xn
Risk Codes:	63
Safety:	22-26-36
PSA:	100.90000
LogP:	2.44450

Synthetic route

: 4383-30-6
9β,11β-epoxy-17α-hydroxypregna-4‐ene-3,20-dione-21-acetate

: 514-36-3
fludrocortisone acetate

Conditions

Conditions	Yield
With pyridine hydrogenfluoride In dichloromethane at 0 - 10℃; for 2h; Reagent/catalyst; Solvent;	57.4%

: 4383-30-6, 96843-90-2
21-acetoxy-9,11β-epoxy-17-hydroxy-9β-pregn-4-ene-3,20-dione

: 514-36-3
fludrocortisone acetate

Conditions

Conditions	Yield
With hydrogen fluoride

: 67-66-3
chloroform

: 7664-39-3
hydrogen fluoride

: 4383-30-6, 96843-90-2
21-acetoxy-9,11β-epoxy-17-hydroxy-9β-pregn-4-ene-3,20-dione

A: 514-36-3
fludrocortisone acetate

B: 96843-89-9
21-acetoxy-11β,17-dihydroxy-pregna-4,8(14)-diene-3,20-dione

...Expand

: 566-35-8
Epicortisol

: 514-36-3
fludrocortisone acetate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: dann mit Methansulfonylchlorid 2: sodium acetate; acetic acid 3: HClO4; aqueous dioxane 4: dioxane; potassium acetate; ethanol 5: HF View Scheme

: 7753-60-8
anecortave

: 514-36-3
fludrocortisone acetate

Conditions

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

: 50733-54-5
21-acetoxy-9-bromo-11β,17-dihydroxy-pregn-4-ene-3,20-dione

: 514-36-3
fludrocortisone acetate

Conditions

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

: 113862-93-4
21-acetoxy-17-hydroxy-11α-methanesulfonyloxy-pregn-4-ene-3,20-dione

: 514-36-3
fludrocortisone acetate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium acetate; acetic acid 2: HClO4; aqueous dioxane 3: dioxane; potassium acetate; ethanol 4: HF View Scheme

: 67-56-1
methanol

: 514-36-3
fludrocortisone acetate

: 125544-23-2
9-fluoro-11β-hydroxy-21,21-dimethoxy-pregn-4-ene-3,20-dione

Conditions

Conditions	Yield
With hydrogenchloride; chloroform

: 50-00-0
formaldehyd

: 514-36-3
fludrocortisone acetate

: 2821-53-6
(20Ξ)-9-fluoro-11β-hydroxy-17,20;20,21-bis-methylenedioxy-pregn-4-en-3-one

Conditions

Conditions	Yield
With hydrogenchloride; chloroform

: 514-36-3
fludrocortisone acetate

: 805-91-4
9-fluoro-1ξ,11β,17,21-tetrahydroxy-pregn-4-ene-3,20-dione

Conditions

Conditions	Yield
mit Hilfe von Streptomyces-Kulturen;

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Specification

The CAS register number of Fludrocortisone acetate is 514-36-3. It also can be called as [2-[(9S)-9-Fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate and the IUPAC name about this chemical is [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate. The molecular formula about this chemical is C₂₃H₃₁FO₆and the molecular weight is 422.49. It belongs to the following product categories, such as Intermediates & Fine Chemicals; Pharmaceuticals; Steroids and so on. This chemical can be used as a mineralocorticoid. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry, well ventilated warehouse, it should be away from fire and heat, it also should be separate from acid, food chemicals.

Physical properties about Fludrocortisone acetate are: (1)ACD/LogP: 2.32; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 78.9Å²; (6)Index of Refraction: 1.563; (7)Molar Refractivity: 105.3 cm³; (8)Molar Volume: 323.9 cm³; (9)Polarizability: 41.74x10^-24cm³; (10)Surface Tension: 53.3 dyne/cm; (11)Enthalpy of Vaporization: 98.94 kJ/mol; (12)Boiling Point: 575.1 °C at 760 mmHg; (13)Vapour Pressure: 1.27E-15 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical has possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular 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)CC1)CC[C@H]4[C@@H]2CC3)C)C)C
(2)InChI: InChI=1/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
(3)InChIKey: SYWHXTATXSMDSB-GSLJADNHBU
(4)Std. InChI: InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
(5)Std. InChIKey: SYWHXTATXSMDSB-GSLJADNHSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	240mg/kg (240mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 666, 1987.
rat	LD50	oral	> 1gm/kg (1000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 666, 1987.