Compound: budesonide
SMILES: O=C1C=C2[C@]([C@H]3[C@@H](O)C[C@@]4([C@@]5(OC(CCC)O[C@@H]5C[C@H]4[C@@H]3CC2)C(=O)CO)C)(C)C=C1
InChIKey: VOVIALXJUBGFJZ-KWVAZRHASA-N
Synonyms: budesonide, 51333-22-3, Pulmicort, Rhinocort, Entocort, Preferid, Rhinocort Aqua, Entocort EC, Uceris, Pulmicort Respules, Pulmicort Flexhaler, Budenofalk, Budesonido, Budesonidum, Pulmaxan, Rhinocort Allergy, Pulmicort turbuhaler, S-1320, EOHILIA, MAP-0010, Budesonida, Eltair, DTXSID8020202, Q3OKS62Q6X, ORTIKOS, CHEBI:3207, MAP0010, R01AD05, NSC-757788, (11-beta,16-alpha)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dione, 16-alpha,17-alpha-Butylidenedioxy-11-beta,21-dihydroxy-1,4-pregnadiene-3,20-dione, DTXCID50820058, UCERIS COMPONENT BUDESONIDE, BREZTRI COMPONENT BUDESONIDE, AIRSUPRA COMPONENT BUDESONIDE, (11beta,16alpha)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione,16,17-(butylidenebis(oxy))-11,21-dihydroxy-, (11beta,16alpha)-, Tarpeyo, (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one, Aircort, Budecort, Butacort, Nasocort, Entocort cr, Duoresp spiromax, Budeflam aquanase, Budelin novolizer, Pulmicort l.s., (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo(10.8.0.0^(2,9).0^(4,8).0^(13,18))icosa-14,17-dien-16-one, Rhinocort aqua 64, Budesonide Inhalation, RefChem:5621, Budesonide Inhalation Suspension, A07EA06, D07AC09, R03BA02, BUDESONIDE (ENTERIC COATED), 257-139-7, Cortiment, Spirocort, Budeson, Cortivent, Micronyl, Respules, Bidien, MFCD00083259, Budesonide (Standard), MLS000028507, (RS)-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with butyraldehyde, Budesonide MMX, Rhinocort alpha, (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, SMR000058337, Budecort Inhaler, Budesonidum [INN-Latin], Budesonido [INN-Spanish], Inflammide, Budiair, Miflonide, Fvolir, Budesonide [USAN:INN:BAN:JAN], Pulmaxan turbohaler, Pulmicort (TN), Pulmicort Topinasal, Rhinocort (TN), (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-10-propyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one, Budesonide Easyhaler, S 1320, CCRIS 5230, Entocort EC (TN), 16,17-Butylidenebis(oxy)-11,21-dihydroxypregna-1,4-diene-3,20-dione, SR-01000000101, EINECS 257-139-7, UNII-Q3OKS62Q6X, Jorveza, Ultesa, Noex, Giona Easyhaler, Inflammide;, Pulmicort;, Rhinocort;, Demotest;, Entocort;, Lisoflam;, Prederid;, Preferid;, Pulmaxan;, Budamax;, Budeson;, Nohalon;, Budesonide CRS, Olfex;, Budesonide - IP, NCGC00016862-01, Budesonide; 16a,17-[(1RS)-butylidenebis(oxy)]-11ss,21-dihydroxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11,21-dihydroxy-, (11.beta.,16.alpha.)-, Prestwick_840, CAS-51333-22-3, Uceris (TN), Budesonide, >=99%, BUDESONIDE [MI], BUDESONIDE [INN], BUDESONIDE [JAN], Opera_ID_1696, Prestwick0_000518, Prestwick1_000518, Prestwick2_000518, Prestwick3_000518, BUDESONIDE [USAN], BUDESONIDE [VANDF], Epitope ID:161750, B 7777, SCHEMBL4096, BUDESONIDE [USP-RS], BUDESONIDE [WHO-DD], CHEMBL1370, Lopac0_000174, BSPBio_000475, MLS001077323, MLS002207112, orb134514, Budesonide (anti-inflammatory), SPBio_002396, BPBio1_000523, Budesonide (JP18/USP/INN), Budesonide - Bio-X trade mark, GTPL7434, BUDESONIDE [ORANGE BOOK], HSDB 8279, BUDESONIDE [EP MONOGRAPH], MSK2236, BUDESONIDE [USP MONOGRAPH], HMS1569H17, HMS2096H17, HMS2232D17, HMS3259H07, HMS3260D09, HMS3413B08, HMS3413P17, HMS3677B08, HMS3677P17, HMS3713H17, 5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Eohilia (budesonide oral suspension), Tox21_110653, Tox21_201827, Tox21_302815, Tox21_500174, BDBM50354850, EBC-27074, HY-13580R, MSK2236-100A, SYMBICORT COMPONENT BUDESONIDE, Budesonide (Mixture of Diastereomers), Budesonide for system suitability CRS, AKOS015969655, MSK2236-1000A, AC-4697, CCG-204269, CS-2063, DB01222, FB19346, KS-1162, LP00174, NC00626, NSC 757788, SDCCGSBI-0050162.P002, (+)-16alpha,17alpha-Butylidenedioxy-11beta,21-dihydroxy-1,4-pregnadiene-3,20-dione, 11beta,21-dihydroxy-16alpha,17alpha-(butane-1,1-diyldioxy)pregna-1,4-diene-3,20-dione, NCGC00021318-05, NCGC00021318-06, NCGC00021318-08, NCGC00021318-18, NCGC00089747-04, NCGC00256415-01, NCGC00259376-01, NCGC00260859-01, BB164267, Budesonide 100 microg/mL in Acetonitrile, CPD000058337, FB173257, HY-13580, Pregna-1,4-diene-3,20-dione, 16,17-(butylidenebis(oxy))-11,21-dihydroxy-, (11-beta,16-alpha)-, Pregna-1,4-diene-3,20-dione, 16,17-butylidenebis(oxy)-11,21-dihydroxy-, (11beta,16alpha(R))-, and 16alpha,17-((S)-Butylidenebis(oxy))-11beta,21-dihydroxypregna-1,4-diene-3,20-dione, B3909, CS-0695032, EU-0100174, NS00000099, Budesonide Solution in Acetonitrile, 100ug/mL, D00246, T70986, Budesonide Solution in Acetonitrile, 1000ug/mL, EN300-19737584, Q422212, SR-01000000101-2, SR-01000000101-6, BRD-A34299591-001-03-4, BRD-A34299591-001-22-4, BRD-A34299591-001-25-7, BRD-A34299591-001-26-5, Budesonide Working Standard (Secondary Reference Standard), Budesonide, European Pharmacopoeia (EP) Reference Standard, Budesonide, United States Pharmacopeia (USP) Reference Standard, Budesonide, Pharmaceutical Secondary Standard; Certified Reference Material, (11b,16a)-16,17-[Butylidenebis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione, (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-Glycoloyl-5-hydroxy-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, (6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-10-propyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one
Theoretical properties:
molecular_formula: C25H34O6
molecular_weight: 430.5 g/mol
exact_mass: 430.23553880 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 4
heavy_atom_count: 31
topological_polar_surface_area: 93.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals
color: Crystals
melting_point: 226°C
solubility: Practically insoluble in water
Descriptions:
{"pubchem": "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.", "chebi": "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.", "chembl": "BUDESONIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Budesonide, sold under the brand name Pulmicort, among others, is a steroid medication. It is available as an inhaler, nebulization solution, pill, nasal spray, and rectal foam. The inhaled form is used in the long-term management of asthma and chronic obstructive pulmonary disease (COPD). The nasal spray is used for allergic rhinitis and nasal polyps. Modified-release pills or capsules and rectal forms may be used for inflammatory bowel disease including Crohn's disease, ulcerative colitis, and microscopic colitis.\nCommon side effects with the inhaled form include respiratory infections, cough, and headaches. Common side effects with the pills include feeling tired, vomiting, and joint pains. Serious side effects include an increased risk of infection, loss of bone strength, and cataracts. Long-term use of the pill form may cause adrenal insufficiency. Stopping the pills suddenly following long-term use may therefore be dangerous. The inhaled form is generally safe in pregnancy. Budesonide chiefly acts as a glucocorticoid.\nBudesonide was initially patented in 1973. Commercial use as an asthma medication began in 1981. It is on the World Health Organization's List of Essential Medicines. Some forms are available as a generic medication. In 2023, it was the 162nd most commonly prescribed medication in the United States, with more than 3 million prescriptions.\n\n"}