Prednisone

C₂₁H₂₆O₅CAS 53-03-2358.43 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₂₁H₂₆O₅
Molar mass: 358.43 g/mol
Exact mass: 358.1780 Da
Melting point: 234 °C (decomposes)
Water solubility: slightly soluble
logP: 1.77Crippen estimate
Polar surface area: 91.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2
Stereocentres: R, S, S, S, S, Rin SMILES atom order

Hazards

Danger

H360 May damage fertility or the unborn child33.7% of notifiers
H361 Suspected of damaging fertility or the unborn child65.1% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure32% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure20.1% of notifiers

Aggregated from 169 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P318, P319, P405, P501

Identifiers

CAS number

53-03-2

SMILES

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

InChIKey

XOFYZVNMUHMLCC-ZPOLXVRWSA-N

InChI

InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

83 names · show all

Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-
17,21-Dihydroxypregna-1,4-diene-3,11,20-trione
Ancortone
Bicortone
Colisone
δ1-Cortisone
Dacortin
Decortancyl
Decortisyl
δ1-Dehydrocortisone
1-Dehydrocortisone
Dekortin
Delta E
Delta-cortelan
Deltacortisone
Deltacortone
Deltasone
Deltisone
Deltra
Di-adreson
17α,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione
Encortone
Enkorton
Hostacortin
Metacortandracin
Meticorten
Paracort
1,4-Pregnadiene-17α,21-diol-3,11,20-trione
Supercortil
Ultracorten
Ultracortene
Encorton
1,2-Dehydrocortisone
Dehydrocortisone
δ-Cortisone
17,21-Dihydroxypregn-1,4-diene-3,11,20-trione
NSC 10023
Cortidelt
Prednison
Deltison
Rectodelt
Prednitone
Me-korti
Prednicorm
Cartancyl
Uniplen
Prednicort
Liquid pred
Pehacort
Adasone
Drazone
Apo-prednisone
Winpred
Econosone
Fernisone
Delta-dome
Nisona
Deltisona
Panafcort
Prednicot
Deltacortene
Dacorten
Prednidib
Sterapred
Cordrol
Prednicen M
Panasol
Predniment
Cortan
Dellacort
Dellacort A
Sone
Orasone
Delcortin
Decortin
Parmenison
Pulmison
Nurison
Retrocortine
Pronison
Prednilonga
17α,21-Dihydroxypregn-1,4-dien-3,11,20-trione
Prednidone

Work with Prednisone

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

Prednisone acetate125-10-076 % similar Methylprednisone1247-42-369 % similar Prednisolone50-24-869 % similar Cortisone53-06-565 % similar Methandrostenolone72-63-953 % similar Methylprednisolone83-43-253 % similar Prednisolone acetate52-21-153 % similar Deprodone20423-99-852 % similar

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

Same formula

Monascin21516-68-7 Malabaricone C63335-25-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook