Mexidol

C12H17NO5CAS 127464-43-1255.27 g/mol

Open in Covalent MOL file
NHOOHOOOH
Carboxylic acidPhenol

Properties

Molecular formula
C12H17NO5
Molar mass
255.27 g/mol
Exact mass
255.1107 Da
Melting point
119–120 °C
logP
1.59Crippen estimate
Polar surface area
107.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
127464-43-1
SMILES
CCc1nc(C)ccc1O.O=C(O)CCC(=O)O
InChIKey
IKMNOGHPKNFPTK-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO.C4H6O4/c1-3-7-8(10)5-4-6(2)9-7;5-3(6)1-2-4(7)8/h4-5,10H,3H2,1-2H3;1-2H2,(H,5,6)(H,7,8)

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

Names and synonyms

8 names
  • Butanedioic acid, compd. with 2-ethyl-6-methyl-3-pyridinol (1:1)
  • 3-Pyridinol, 2-ethyl-6-methyl-, butanedioate (1:1) (salt)
  • Mexicor
  • Emicidine
  • Emicidin
  • Mexiprim
  • 2-Ethyl-6-methyl-3-hydroxypyridine succinate
  • 2-Ethyl-6-methyl-3-Pyridinol butanedioate

Work with Mexidol

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.

Succinic acid110-15-6Free acid Emoxipin2364-75-2Free base 1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine-succinic acid copolymer70198-29-7Salt Donormil562-10-7Salt Sumatriptan succinate103628-48-4Salt Loxapine succinate27833-64-3Salt Metoprolol succinate98418-47-4Salt Diammonium succinate2226-88-2Salt Disodium succinate150-90-3Salt Solifenacin succinate242478-38-2Salt 1,1-Dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate butanedioate (2:1)183388-64-9Salt Lasmiditan succinate439239-92-6Salt

Similar compounds

3-Hydroxy-6-methyl-2-pyridinemethanol42097-42-750 % similar 3-(4-Ethylbenzoyl)propionic acid49594-75-441 % similar Dihydrocaffeic acid1078-61-140 % similar 2,6-Dimethyl-3-pyridinol1122-43-640 % similar Dihydroferulic acid1135-23-540 % similar 2-[(4-Methyl-2-pyrimidinyl)thio]acetic acid46118-95-040 % similar 2,3-Diethyl-5-methylpyrazine18138-04-039 % similar 2-Amino-6-methylpyridin-3-ol20348-16-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook