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Budesonide - Bio-X TM

CAT: 0926-BB164267Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-BB164267Size:100 mg
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CAS Number
51333-22-3
Synonyms
(11b,16a) -16,17-Butylidenebis (oxy) -11,21-dihydroxypregna-1,4-diene-3,20-dione
MDL Number
MFCD00083259
Smiles
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC (=O) C=C[C@@]5 ([C@H]4[C@H] (C[C@@]3 ([C@@]2 (O1) C (=O) CO) C) O) C
Molecular Formula
C25H34O6
Molecular Weight
430.53 g/mol
Controlled
No

Chemical Information

Budesonide

Budesonide is a glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis. It has a role as an anti-inflammatory drug, a bronchodilator agent and a drug allergen. It is a primary alpha-hydroxy ketone, a glucocorticoid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a cyclic acetal and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a hydride of a pregnane.

CAS Number51333-22-3
PubChem CID5281004
IUPAC Name(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC25H34O6
Molecular Weight430.5
XLogP2.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity862
SMILES
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C
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
InChIKey
VOVIALXJUBGFJZ-KWVAZRHASA-N
Chemical Structure
2D Structure
2D structure of Budesonide
CAS: 51333-22-3
CID: 5281004
Formula: C25H34O6
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass430.23553880
Monoisotopic Mass430.23553880
Topological Polar Surface Area93.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity862
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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