Methylprednisolone acetate

C₂₄H₃₂O₆CAS 53-36-1416.51 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester Ketone

Properties

Molecular formula: C₂₄H₃₂O₆
Molar mass: 416.51 g/mol
Exact mass: 416.2199 Da
Melting point: 205–208 °C
logP: 2.37Crippen estimate
Polar surface area: 100.9 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3
Stereocentres: R, S, S, S, R, S, S, Sin SMILES atom order

Hazards

Danger

H360 May damage fertility or the unborn child39.2% of notifiers
H361 Suspected of damaging fertility or the unborn child59.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure43% of notifiers

Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

53-36-1

SMILES

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

InChIKey

PLBHSZGDDKCEHR-LFYFAGGJSA-N

InChI

InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1

Weigh it out

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

Names and synonyms

22 names · show all

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6α,11β)-
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-acetate
(6α,11β)-21-(Acetyloxy)-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
Depo-medrol
Medrol acetate
6α-Methylprednisolone acetate
Urbason crystal suspension
MPA
U 8210
Methylprednisolone 21-acetate
6α-Methylprednisolone 21-acetate
21-Acetoxy-11β,17-dihydroxy-6α-methylpregna-1,4-diene-3,20-dione
Depo-methylprednisolone
6-Methylprednisolone acetate
Depo-medrate
Depo-medrone
DepMedalone 40
Vetacortyl
DepMedalone 80
Mepred
NSC 48985
11β,17α,21-Trihydroxy-6α-methylpregna-1,4-diene-3,20-dione 21-acetate

Work with Methylprednisolone 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

Methylprednisolone83-43-277 % similar Methylprednisolone succinate2921-57-577 % similar Methylprednisolone aceponate86401-95-876 % similar (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione6870-94-675 % similar Prednisolone acetate52-21-174 % similar Methylprednisolone sodium succinate2375-03-374 % similar Prednisolone 21-hemisuccinate2920-86-758 % similar Prednisolone sodium succinate1715-33-957 % similar

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

Same formula

11α-Hydroxymexrenone192704-56-6 Arenobufagin464-74-4 Desonide638-94-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook