Product Name

  • Name

    Beclomethasone dipropionate

  • EINECS 226-886-0
  • CAS No. 5534-09-8
  • Article Data7
  • CAS DataBase
  • Density 1.26 g/cm3
  • Solubility slightly soluble in water
  • Melting Point 117-120 °C
  • Formula C28H37ClO7
  • Boiling Point 630.5 °C at 760 mmHg
  • Molecular Weight 521.051
  • Flash Point 335.1 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety 53-36/37/39-45-36-26
  • Risk Codes 60-61-36/37/38-20/21/22
  • Molecular Structure Molecular Structure of 5534-09-8 (Beclomethasone dipropionate)
  • Hazard Symbols ToxicT,HarmfulXn
  • Synonyms 9-Chloro-11b,17,21-trihydroxy-16b-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate;Aldecin;
  • PSA 106.97000
  • LogP 4.08680

Synthetic route

beclomethasone 11,17,21-tripropionate

beclomethasone 11,17,21-tripropionate

beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

Conditions
ConditionsYield
With gluconic acid In water at 0℃; Reagent/catalyst; Temperature;99.2%
With gluconic acid In tetrahydrofuran at 0℃; for 1h; Reagent/catalyst; Solvent; Temperature;
C28H36O7

C28H36O7

beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

Conditions
ConditionsYield
With hydrogenchloride In water; ethyl acetate at 0℃; for 5.5h; Temperature;24.8 g
9β, 11β-epoxy-17α,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate

9β, 11β-epoxy-17α,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate

beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

ethyl acetate n-hexane

ethyl acetate n-hexane

beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

16β-methyl-21-propionyloxy-1,4,16-pregnatriene-3,11,20-trione
79884-51-8

16β-methyl-21-propionyloxy-1,4,16-pregnatriene-3,11,20-trione

Conditions
ConditionsYield
With nitrogen92%
beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

A

21-beclomethasone monopropionate

21-beclomethasone monopropionate

B

beclomethasone 17-monopropionate
5534-18-9

beclomethasone 17-monopropionate

Conditions
ConditionsYield
In various solvent(s) at 37℃; for 18h; Kinetics; Product distribution; Hydrolysis;
beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

9α-Chloro-11β,17α,21-trihydroxy-16β-methyl-5β-pregnane-3,20-dione 17,21-dipropionate
80163-95-7

9α-Chloro-11β,17α,21-trihydroxy-16β-methyl-5β-pregnane-3,20-dione 17,21-dipropionate

Conditions
ConditionsYield
p-TSA; palladium In 4,4-dichlorobutan-2-one; ethyl acetate
p-TSA; palladium In 4,4-dichlorobutan-2-one; ethyl acetate
beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

A

betamethasone 9,11-epoxide 17,21-dipropionate
66917-44-0

betamethasone 9,11-epoxide 17,21-dipropionate

B

C22H26O4

C22H26O4

Conditions
ConditionsYield
With sodium hydroxide In water; acetonitrile at 20℃; for 0.333333h; Mattox rearrangement;
beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

beclomethasone
4419-39-0, 4647-20-5

beclomethasone

Conditions
ConditionsYield
With potassium hydrogencarbonate In methanol at 20℃; for 72h;
beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

(8S,9R,10S,11S,13S,14S,16S,17R)-9-Chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid
37927-35-8

(8S,9R,10S,11S,13S,14S,16S,17R)-9-Chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium hydrogencarbonate / methanol / 72 h / 20 °C
2: 1,4-dioxane; water / 48 h / 20 °C
View Scheme
beclomethasone 17,21-dipropionate
5534-09-8

beclomethasone 17,21-dipropionate

C38H45ClN4O5*ClH

C38H45ClN4O5*ClH

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: potassium hydrogencarbonate / methanol / 72 h / 20 °C
2: 1,4-dioxane; water / 48 h / 20 °C
3: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 24 h / 20 °C
View Scheme

Beclomethasone dipropionate Specification

The Beclometasone dipropionate, with the cas regsister number 5534-09-8 , has the IUPAC name of [9-Chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate. Besides, its product categories are various, including active pharmaceutical ingredients; intermediates & fine chemicals; pharmaceuticals; steroids; intracellular receptor. When store it, you should keep it at 2-8°C.

The characteristics of this chemical are as follows: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1808.81; (6)ACD/BCF (pH 7.4): 1808.81; (7)ACD/KOC (pH 5.5): 7468.6; (8)ACD/KOC (pH 7.4): 7468.58; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 95.97; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 133.38 cm3; (15)Molar Volume: 410.2 cm3; (16)Polarizability: 52.87×10-24 cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 335.1 °C; (20)Enthalpy of Vaporization: 106.88 kJ/mol; (21)Boiling Point: 630.5 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-18 mmHg at 25°C; (23)Exact Mass: 520.222781; (24)MonoIsotopic Mass: 520.222781; (25)Topological Polar Surface Area: 107; (26)Heavy Atom Count: 36; (27)Complexity: 1050.

While dealing with this chemical, you should be very cautious. This is irritant to eyes, respiratory system and skin, and if by inhalation, in contact with skin and if swallowed, it will be very harmful. Besides, for being a kind of toxic chemical, it may at low levels cause damage to health. Then it may cause harm to the unborn child and may cause impair fertility to women. Therefore, people should be very cautious. Wear suitable protective clothing, gloves and eye/face protection, and avoid exposure - obtain special instructions before use. If in case of accident or if you feel unwell seek medical advice immediately (show the label where possible); Or in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC
(2)InChI: InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-
19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3 
(3)InChIKey: KUVIULQEHSCUHY-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. 6, Pg. 746, 1982.
mouse LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. 6, Pg. 746, 1982.
mouse LDLo intraperitoneal 2gm/kg (2000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 1037, 1971.
rabbit LD subcutaneous > 750mg/kg (750mg/kg) LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES		 Yamaguchi Igaku. Yamaguchi Medicine. Vol. 19, Pg. 65, 1970.
rat LC50 inhalation > 51600ug/m3/2 (51.6mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 2, Pg. 97, 1976.
rat LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 863, 1976.
rat LD50 oral > 3750mg/kg (3750mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 863, 1976.
rat LD50 subcutaneous > 1500mg/kg (1500mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 863, 1976.

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