ChemicalBook--->CAS DataBase List--->29218-27-7

29218-27-7

29218-27-7 Structure

29218-27-7 Structure
IdentificationBack Directory
[Name]

Toloxatone
[CAS]

29218-27-7
[Synonyms]

Humoryl
Perenum
69276MD
MD-69276
Toloxatone
Taloxotone
Delalande 69276
Toloxatone USP/EP/BP
Toloxatone - MD 69276
ToloxatonetoloxatonetoloxatoneToloxatone
5-Hydroxymethyl-3-(m-tolyl)oxazolidin-2-one
5-(Hydroxymethyl)-3-(m-tolyl)oxazolidin-2-one
5-Hydroxymethyl-3-(3-methylphenyl)oxazolidin-2-one
5-(hydroxymethyl)-3-(3-methylphenyl)-2-oxazolidinone
2-OXAZOLIDINONE, 5-(HYDROXYMETHYL)-3-(3-METHYLPHENYL)-
Toloxatone,Monoamine Oxidase,MD69276,MD-69276,MAO,inhibit,Inhibitor
[EINECS(EC#)]

249-522-2
[Molecular Formula]

C11H13NO3
[MDL Number]

MFCD00865391
[MOL File]

29218-27-7.mol
[Molecular Weight]

207.23
Chemical PropertiesBack Directory
[Melting point ]

76°
[Boiling point ]

358.9±21.0 °C(Predicted)
[density ]

1.245±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: >10mg/mL
[form ]

solid
[pka]

14.05±0.10(Predicted)
[color ]

White to off-white
[InChI]

1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
[InChIKey]

MXUNKHLAEDCYJL-UHFFFAOYSA-N
[SMILES]

Cc1cccc(c1)N2CC(CO)OC2=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[RIDADR ]

3249
[WGK Germany ]

3
[RTECS ]

RQ2867500
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Toxicity]

LD50 orally in mice (mg/kg): 1850 (Fauran); also reported as 1500 (Raynaud)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Propylene oxide-->Propylene glycol-->m-Toluidine-->Methyl chloroformate
Hazard InformationBack Directory
[Description]

Toloxatone is a selective, reversible and competitive inhibitor of type A monoamine oxidase (MAO-A) which shows clinical utility as an antidepressant. It is reportedly free of the "cheese effect" in man, possibly due to the reversible nature of its inhibitory effect on intestinal MAO-A in the presence of high concentrations of tyramine.
[Chemical Properties]

Crystallized from isopropyl alcohol, melting point 76°C. Acute toxicity LD50 in mice (mg/kg): 1850 or 1500 oral.
[Originator]

Delalande (France)
[Uses]

Toloxatone is a monoamine oxidase-A (MAO-A) inhibitor.
[Definition]

ChEBI: 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one is a member of the class of oxazolidinones that is 5-(hydroxymethyl)-1,3-oxazolidin-2-one substituted by a 3-methylphenyl group at position 3. It is a member of toluenes, an oxazolidinone and a primary alcohol.
[Brand name]

HUMORYL
Spectrum DetailBack Directory
[Spectrum Detail]

Toloxatone(29218-27-7)1HNMR
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