Prednisolone acetate

C₂₃H₃₀O₆CAS 52-21-1402.49 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester Ketone

Properties

Molecular formula: C₂₃H₃₀O₆
Molar mass: 402.49 g/mol
Exact mass: 402.2042 Da
Melting point: 238 °C (decomposes)
logP: 2.13Crippen estimate
Polar surface area: 100.9 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3
Stereocentres: R, S, S, R, S, S, Sin SMILES atom order

Hazards

Danger

H300 Fatal if swallowed40.9% of notifiers
H319 Causes serious eye irritation11.8% of notifiers
H360 May damage fertility or the unborn child34.4% of notifiers
H361 Suspected of damaging fertility or the unborn child16.1% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure37.6% of notifiers

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P319, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

52-21-1

SMILES

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

InChIKey

LRJOMUJRLNCICJ-JZYPGELDSA-N

InChI

InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/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, 21-(acetyloxy)-11,17-dihydroxy-, (11β)-
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-acetate
(11β)-21-(Acetyloxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione
Meticortelone acetate
Nisolone
Prednisolone 21-acetate
Supercortyl
11β,17α,21-Trihydroxypregna-1,4-diene-3,20-dione 21-acetate
21-Acetoxy-11β,17-dihydroxypregna-1,4-diene-3,20-dione
Prenema
Cormalone
Cortipred
Deltilen
Prediacortin
Predicort
Prednelan N
Prednidoren
Inflanefran forte
Hydroprednisone acetate
Pred-forte
21-(Acetoxy)-11β,17α-dihydroxypregna-1,4-diene-3,20-dione
Econopred
Predalone 50
Ak-tate
Meticotelone acetate
Inflanefran
Pred mild
NSC 10966
Falcon
Falcon (steroid)
EconoPred Plus
Omnipred

Work with Prednisolone acetate

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

Prednisolone 21-hemisuccinate2920-86-777 % similar Prednisolone50-24-876 % similar Methylprednisolone acetate53-36-174 % similar 16Alpha-hydroxyprednisonlone acetate86401-80-174 % similar Deprodone20423-99-874 % similar Prednisolone sodium succinate1715-33-973 % similar Prednisolone sodium phosphate125-02-071 % similar Prednisone acetate125-10-071 % similar

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

Same formula

Biocort acetate50-04-4 Schisanhenol69363-14-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook