CAS No.51333-22-3,Budesonide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51333-22-3
Name:	Budesonide

Formula:	C₂₅H₃₄O₆
Molecular Weight:	430.59
Synonyms:	Budeson;Respules;16-alpha,17-alpha-Butylidenedioxy-11-beta,21-dihydroxy-1,4-pregnadiene-3,20-dione;Entocort;Pregna-1,4-diene-3,20-dione,16,17- [butylidenebis(oxy)]-11,21-dihydroxy-,(11a,- 16R)-;Rhinocort;Budesonide (11beta,16alpha);Micronyl;Preferid;(RS)-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with butyraldehyde;(11-beta,16-alpha)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dione;Cortivent;Prestwick_840;Rhinocort alpha;
EINECS:	257-139-7
Density:	1.27 g/cm³
Melting Point:	221-232 °C (dec.)
Boiling Point:	599.7 °C at 760 mmHg
Flash Point:	201.8 °C
Solubility:	21.53mg/L(temperature not stated)
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38-40
Safety:	22-26-36
PSA:	93.06000
LogP:	2.71680

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Specification

1. Introduction of Budesonide
Budesonide is one kind of white crystalline powder or white solid. It is toxic. So the storage environment should be ventilate, low-temperature and dry. The Systematic (IUPAC) name of it is 16,17-(butylidenebis(oxy))-11,21-dihydroxy-, (11-β,16-α)-pregna-1,4-diene-3,20-dione. It belongs to Intermediates & Fine Chemicals;Pharmaceuticals;Steroids;Steroid and Hormone.

The Classification Code of it is Adrenal Cortex Hormones; Anti-Asthmatic Agents; Anti-Inflammatory Agents; Anti-inflammatory; Autonomic Agents; Bronchodilator agents; Drug / Therapeutic Agent; Glucocorticoids; Hormone; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists; Human Data; Peripheral Nervous System Agents; Reproductive Effect; Respiratory System Agents.

2. Properties of Budesonide
Physical properties about Budesonide are:
(1)Melting Point: 221-232°C (dec.); (2)Index of Refraction: 1.592; (3)Molar Refractivity: 113.86 cm³; (4)Molar Volume: 336.4 cm³; (5)Surface Tension: 55.2 dyne/cm; (6)Density: 1.27 g/cm³; (7)Flash Point: 201.8 °C; (8)Enthalpy of Vaporization: 102.44 kJ/mol; (9)Boiling Point: 599.7 °C at 760 mmHg; (10)Vapour Pressure: 6.94E-17 mmHg at 25 °C; (11)XLogP3-AA: 2.5; (12)H-Bond Donor: 2; (13)H-Bond Acceptor: 6; (14)Rotatable Bond Count: 4; (15)Tautomer Count: 9; (16)Exact Mass: 430.235539; (17)MonoIsotopic Mass: 430.235539; (18)Topological Polar Surface Area: 93.1; (19)Heavy Atom Count: 31.

3. Structure Descriptors of Budesonide
(1)Canonical SMILES: CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C
(2)InChIKey: VOVIALXJUBGFJZ-KWVAZRHASA-N
(3)Smiles: C1(C=C[C@@]2([C@H]3[C@H](C[C@@]4([C@@]5([C@H](C[C@@H]4[C@@H]3CCC2=C1)O[C@@H](CCC)O5)C(CO)=O)C)O)C)=O
(4)InChI: InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20-,21?,22+,23-,24-,25+/m0/s1

4. Toxicity of Budesonide

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	subcutaneous	173mg/kg (173mg/kg)	GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH BLOOD: CHANGES IN SPLEEN GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 1985.
man	TCLo	inhalation	34ug/kg (.034mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"	Australian and New Zealand Journal of Medicine. Vol. 22, Pg. 511, 1992.
mouse	LD50	intraperitoneal	179mg/kg (179mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 1985.
mouse	LD50	intravenous	124mg/kg (124mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 1985.
mouse	LD50	oral	4750mg/kg (4750mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 1985.
mouse	LD50	subcutaneous	53600ug/kg (53.6mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 1985.
rat	LD50	intraperitoneal	138mg/kg (138mg/kg)	BLOOD: CHANGES IN SPLEEN BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 1985.
rat	LD50	intravenous	98900ug/kg (98.9mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 1985.
rat	LD50	oral	> 3200mg/kg (3200mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 1985.
rat	LD50	subcutaneous	58400ug/kg (58.4mg/kg)	BLOOD: CHANGES IN SPLEEN BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 4377, 19

5. Physical Properties of Budesonide

Physical Property	Value	Units	Temp (deg C)	Source
Melting Point	226 dec	deg C		EXP
log P (octanol-water)	2.180	(none)		EST
Atmospheric OH Rate Constant	1.28E-10	cm3/molecule-sec	25	EST

6. Safety information of Budesonide
Hazard Codes: Harmful

Xn
Risk Statements: 40-36/37/38-20/21/22
R40: Limited evidence of a carcinogenic effect.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-36-26
S22: Do not breathe dust.
S36: Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: TU3723000
Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes.

7. Uses of Budesonide
Budesonide (CAS NO.51333-22-3) is used for the treatment of asthma, non-infectious rhinitis (including hay fever and other allergies), and for treatment and prevention of nasal polyposis. It is also used for Crohn's disease (inflammatory bowel disease). It is used as an antiinflammatory agent. Budesonide is a non-halogenated glucocorticoid related to triamcinolone hexacetonide.As a pharmaceutical raw material, it can be used in the medicine.