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Difluprednate

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Name

Difluprednate

EINECS 245-815-4
CAS No. 23674-86-4 Density 1.29 g/cm3
PSA 106.97000 LogP 3.51950
Solubility N/A Melting Point 192 - 194oC
Formula C27H34F2O7 Boiling Point 600.3 °C at 760 mmHg
Molecular Weight 508.56 Flash Point 316.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23674-86-4 (Difluprednate) Hazard Symbols N/A
Synonyms

Pregna-1,4-diene-3,20-dione,6a,9-difluoro-11b,17,21-trihydroxy-, 21-acetate17-butyrate (8CI);Butyric acid, 17-ester with 6a,9-difluoro-11b,17,21-trihydroxypregna-1,4-diene-3,20-dione21-acetate (8CI);6a,9-Difluoro-11b,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate 17-butyrate;6a,9-Difluoroprednisolone 21-acetate17-butyrate;6a,9a-Difluoroprednisolone 21-acetate17-butyrate;CM 9155;Epitopic;Myser;W 6309;

 

Difluprednate Specification

The Difluprednate with cas registry number of 23674-86-4 is also known as Epitopic; Myser; UNII-S8A06QG2QE; W 6309; 6a,9a-Difluoroprednisolone 21-acetate 17-butyrate. Its EINECS registry number 245-815-4. It belongs to the classification codes of Adrenal Cortex Hormones; Anti-inflammatory; Glucocorticoids; Hormone; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists; Reproductive Effect. This chemical has been used as a drug for the treatment of post-operative ocular inflammation and pain. It has been approved by the US Food and Drug Administration (FDA). It is marketed by Sirion Therapeutics under the tradename Durezol.

Physical properties about this chemical are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 95.97 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 124.15 cm3; (9)Molar Volume: 392.7 cm3; (10)Surface Tension: 48.9 dyne/cm; (11)Density: 1.29 g/cm3; (12)Flash Point: 316.9 °C; (13) Enthalpy of Vaporization: 102.52 kJ/mol; (14)Boiling Point: 600.3 °C at 760 mmHg; (15)Vapour Pressure: 6.46E-17 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Poison by subcutaneous and intraperitoneal routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of F-. Its WGK Germany is 2 and RTECS is TU3831500. Store it at temperature of 2-8°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1
(2)Smiles: [C@@]1([C@@]2([C@@H](CC1)[C@H]1[C@]([C@H](C2)O)([C@@]2(C(=CC(=O)C=C2)[C@H](C1)F)C)F)C)(C(=O)COC(=O)C)OC(=O)CCC

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 146mg/kg (146mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1066, 1984.
mouse LD50 oral > 4gm/kg (4000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1066, 1984.
mouse LD50 subcutaneous 105mg/kg (105mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1066, 1984.
rat LD50 intraperitoneal 1gm/kg (1000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1066, 1984.
rat LD50 oral > 4gm/kg (4000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1066, 1984.
rat LD50 subcutaneous 2315mg/kg (2315mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 1066, 1984.

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