- Fludrocortisone
- Fludrocortisone acetate
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| Name |
Fludrocortisone acetate |
EINECS | 208-180-4 |
| CAS No. | 514-36-3 | Density | 1.3 g/cm3 |
| PSA | 100.90000 | LogP | 2.44450 |
| Solubility | 54mg/L(25 oC) | Melting Point |
233-234 °C |
| Formula | C23H31FO6 | Boiling Point | 575.1 °C at 760 mmHg |
| Molecular Weight | 422.494 | Flash Point | 301.6 °C |
| Transport Information | N/A | Appearance | Crystalline solid |
| Safety | 22-26-36 | Risk Codes | 63 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| 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; |
Fludrocortisone acetate Synthetic route
| 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 | 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
| 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 |
| 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 | 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 | 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 | 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 | Yield |
|---|---|
| With hydrogenchloride; chloroform |
| Conditions | Yield |
|---|---|
| mit Hilfe von Streptomyces-Kulturen; |
Fludrocortisone acetate 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 C23H31FO6 and 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. |
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