Prednisolone

C₂₁H₂₈O₅CAS 50-24-8360.45 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₂₁H₂₈O₅
Molar mass: 360.45 g/mol
Exact mass: 360.1937 Da
Melting point: 235 °C (decomposes)
logP: 1.56Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2
Stereocentres: R, S, S, S, S, S, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed31.9% of notifiers
H332 Harmful if inhaled10.1% of notifiers
H360 May damage fertility or the unborn child66.2% of notifiers
H361 Suspected of damaging fertility or the unborn child27.1% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure16.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure13% of notifiers
H411 Toxic to aquatic life with long lasting effects17.4% of notifiers

Aggregated from 207 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P319, P330, P391, P405, P501

Identifiers

CAS number

50-24-8

SMILES

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

InChIKey

OIGNJSKKLXVSLS-VWUMJDOOSA-N

InChI

InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

80 names · show all

Preflam
Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11β)-
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-
(11β)-11,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Codelcortone
Co-hydeltra
δ1-Cortisol
Decortin H
δ1-Dehydrocortisol
δ1-Dehydrohydrocortisone
1-Dehydrohydrocortisone
Delta F
Delta-cortef
Deltacortenol
Deltacortril
Delta-stab
Di-adreson F
Dicortol
Fernisolone
Hostacortin H
Hydeltra
Hydeltrone
δ1-Hydrocortisone
Hydrodeltalone
Hydrodeltisone
Hydroretrocortin
Metacortandralone
Meticortelone
Meti-derm
Paracortol
Precortancyl
Precortisyl
Predne-dome
Predonin
Predonine
1,4-Pregnadiene-3,20-dione-11β,17α,21-triol
1,4-Pregnadiene-11β,17α,21-triol-3,20-dione
Prenolone
Scherisolon
Sterane
Sterolone
11β,17α,21-Trihydroxypregna-1,4-diene-3,20-dione
11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Ulacort
Ultracortene H
Deltahydrocortisone
Eazolin D
Donisolone
1,2-Dehydrohydrocortisone
Ultracorten H
Steran
Delta-ef-cortelan
Deltisilone
Prednelan
Supercortisol
Precortalon
Delcortol
Panafcortelone
Klismacort
Decaprednil
Cortalone
Precortilon
Deltacortril enteric
NSC 9120
Predniretard
Prednicen
Predni-dome
Flamasone
Hydroretrocortine
Solone
Deltasolone
NSC 9900
Prelone
Aprednislon
Vetsolone
Prednicare
Prednisolona syntex
Millipred
Equisolon
Decortin

Work with Prednisolone

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

Similar compounds

Deprodone20423-99-878 % similar Prednisolone acetate52-21-176 % similar Methylprednisolone83-43-272 % similar 16α-Hydroxyprednisolone13951-70-772 % similar Prednisolone 21-hemisuccinate2920-86-771 % similar Prednisolone sodium phosphate125-02-070 % similar Prednisone53-03-269 % similar Prednisolone sodium succinate1715-33-968 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Aldosterone52-39-1 Cortisone53-06-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook