Budesonide

C₂₅H₃₄O₆CAS 51333-22-3430.54 g/mol

Open in Covalent MOL file

Acetal Alcohol Alkene Ether Ketone

Properties

Molecular formula: C₂₅H₃₄O₆
Molar mass: 430.54 g/mol
Exact mass: 430.2355 Da
Melting point: 226 °C (decomposes)
Water solubility: practically insoluble
logP: 2.72Crippen estimate
Polar surface area: 93.1 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4
Stereocentres: R, S, S, R, S, S, S, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation10% of notifiers
H317 May cause an allergic skin reaction80% of notifiers
H332 Harmful if inhaled52.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled47.5% of notifiers
H361 Suspected of damaging fertility or the unborn child87.5% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure25% of notifiers
H412 Harmful to aquatic life with long lasting effects32.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P405, P501

Identifiers

CAS number

51333-22-3

SMILES

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

InChIKey

VOVIALXJUBGFJZ-KWVAZRHASA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

32 names · show all

Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11,21-dihydroxy-, (11β,16α)-
2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
(11β,16α)-16,17-[Butylidenebis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione
Pulmicort
Preferid
Rhinocort
Rhinocort aqua
16α,17α-(Butylidenedioxy)-11β,21-dihydroxypregna-1,4-diene-3,20-dione
Entocort
Respules
S 1320
Bidien
Budeson
Cortivent
Micronyl
Spirocort
Nebuampul
Budenofalk
Turbuhaler
Budesomide
Budes
Budecort aqua
Barazone
Rhinocort respules
Novopulmon
Budesonide MMX
Uceris MMX
Uceris
Bunesonide
Jorveza
Budesonid
Budesonida

Work with Budesonide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(22R)-Budesonide51372-29-3Stereoisomer

Similar compounds

Desonide638-94-873 % similar 16α-Hydroxyprednisolone13951-70-764 % similar Prednisolone50-24-861 % similar Ciclesonide126544-47-660 % similar Rimexolone49697-38-359 % similar Flunisolide3385-03-355 % similar 16Alpha-hydroxyprednisonlone acetate86401-80-154 % similar Deflazacort14484-47-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl (17α,20E)-17,20-[(1-methoxyethylidene)bis(oxy)]-3-oxo-19-norpregna-4,20-diene-21-carboxylate1370003-76-1 Methyl 2-(2'-methoxy-2',13-dimethyl-3-oxospiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-1,3-dioxolane]-4'-ylidene)acetate431579-34-9 Ingenol mebutate75567-37-2

Elsewhere

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