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Basic information

  • Name:
  • Pregna-1,4-diene-3,20-dione,6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,11b,16a)-

  • Superlist Name:
  • Fluocinolone acetonide
  • CAS No.:
  • 67-73-2

  • Molecular Structure:
  • Formula:
  • C24H30F2O6
  • Molecular Weight:
  • 452.54
  • Synonyms:
  • Pregna-1,4-diene-3,20-dione,6a,9-difluoro-11b,16a,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone(6CI,8CI);16a,17a-Isopropylidene-6a,9a-difluoro-1,4-pregnadiene-11b,16a,17a,21-tetrol-3,20-dione;6a,9-Difluoro-11b,21-dihydroxy-16a,17a-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione;6a,9a-Difluoro-16a,17a-isopropylidenedioxy-D1-hydrocortisone;6a,9a-Difluoro-16a-hydroxyprednisolone16,17-acetonide;6a-Fluorotriamcinolone acetonide;Coriphate;Cortiplastol;Dermalar;Dermatin;Dermatin (steroid);Fluocinolone 16,17-acetonide;Fluocinolone acetonide;Fluovitef;Fluvean;Jellin;Localyn;NSC 92339;Percutina;Sinaflan;Sinalar;Synaflan;Synamol;Synandrone;Synemol;Synsac;
  • EINECS:
  • 200-668-5
  • Density:
  • 1.36 g/cm3
  • Melting Point:
  • 267-269 °C(lit.)
  • Boiling Point:
  • 578.5 °C at 760 mmHg
  • Flash Point:
  • 303.7 °C
  • Hazard Symbols:
  • IrritantXi; HarmfulXn
  • Risk Codes:
  • 20/21/22-36/37/38-40
  • Safety Description:
  • 26-36-22 Details

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Specification

The Fluocinolone acetonide, with the CAS registry number 67-73-2 and EINECS registry number 200-668-5, is a kind of crystalline solid.and It belongs to the following product categories: Organics; Alkaloids; Biochemistry; Quinoline Alkaloids; Intermediates & Fine Chemicals; Pharmaceuticals; Steroids. The molecular formula of this chemical is C24H30F2O6. What's more, it is a corticosteroid primarily used in dermatology to reduce skin inflammation and relieve itching. And it is a synthetic hydrocortisone derivative.

The physical properties of Fluocinolone acetonide are as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.91; (6)ACD/BCF (pH 7.4): 29.91; (7)ACD/KOC (pH 5.5): 396.28; (8)ACD/KOC (pH 7.4): 396.28; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 109.5 cm3; (15)Molar Volume: 330.3 cm3; (16)Polarizability: 43.41×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 303.7 °C; (20)Enthalpy of Vaporization: 99.42 kJ/mol; (21)Boiling Point: 578.5 °C at 760 mmHg; (22)Vapour Pressure: 8.57E-16 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. What's more, there's limited evidence of a carcinogenic effect. Therefore, you had better take the following instructions: Do not breathe the dust; Wear suitable protective clothing, and in case of contacting 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\1\C=C5/[C@@](/C=C/1)(C)[C@]2(F)[C@H]([C@H]3[C@](C[C@@H]2O)([C@@]4(OC(O[C@@H]4C3)(C)C)C(=O)CO)C)C[C@@H]5F
(2)InChI: InChI=1/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
(3)InChIKey: FEBLZLNTKCEFIT-VSXGLTOVBO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 subcutaneous > 3170mg/kg (3170mg/kg)   Drugs in Japan Vol. 6, Pg. 694, 1982.
mouse LD50 intraperitoneal 103mg/kg (103mg/kg)   Drugs in Japan Vol. 6, Pg. 694, 1982.
mouse LD50 oral > 4gm/kg (4000mg/kg)   Drugs in Japan Vol. 6, Pg. 694, 1982.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Drugs in Japan Vol. 6, Pg. 694, 1982.
rat LD50 intraperitoneal 42mg/kg (42mg/kg)   Drugs in Japan Vol. 6, Pg. 694, 1982.
rat LD50 oral > 4gm/kg (4000mg/kg)   Drugs in Japan Vol. 6, Pg. 694, 1982.
rat LD50 subcutaneous 108mg/kg (108mg/kg)   Drugs in Japan Vol. 6, Pg. 694, 1982.

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