Methylprednisolone succinate

C₂₆H₃₄O₈CAS 2921-57-5474.55 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Ester Ketone

Properties

Molecular formula: C₂₆H₃₄O₈
Molar mass: 474.55 g/mol
Exact mass: 474.2254 Da
logP: 2.22Crippen estimate
Polar surface area: 138.2 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 6
Stereocentres: S, S, S, S, S, S, R, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed30.4% of notifiers
H312 Harmful in contact with skin30.4% of notifiers
H360 May damage fertility or the unborn child62.5% of notifiers
H361 Suspected of damaging fertility or the unborn child33.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure66.1% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P301+P317, P302+P352, P317, P318, P319, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

2921-57-5

SMILES

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)O)[C@@]2(C)C=CC(=O)C=C12

InChIKey

IMBXEJJVJRTNOW-XYMSELFBSA-N

InChI

InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1

Weigh it out

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

Names and synonyms

10 names

Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, (6α,11β)-
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-(hydrogen succinate)
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-(H succinate)
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-succinate
(6α,11β)-21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
6α-Methylprednisolone hemisuccinate
6-Methylprednisolone hemisuccinate
6α-Methylprednisolone 21-succinate
Methylprednisolone 21-hemisuccinate
Methylprednisolone hemisuccinate

Work with Methylprednisolone succinate

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.

Methylprednisolone sodium succinate2375-03-3Salt

Similar compounds

Prednisolone 21-hemisuccinate2920-86-777 % similar Methylprednisolone acetate53-36-177 % similar Methylprednisolone83-43-271 % similar (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione6870-94-667 % similar Prednisolone sodium succinate1715-33-964 % similar Methylprednisolone aceponate86401-95-863 % similar Prednisolone acetate52-21-159 % similar Hydrocortisone hemisuccinate2203-97-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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