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Substance Name: Toloxatone [INN]
RN: 29218-27-7
UNII: 5T206015T5
InChIKey: MXUNKHLAEDCYJL-UHFFFAOYSA-N

Note

  • Oxazolidinone derivative; psychotropic drug.

Molecular Formula

  • C11-H13-N-O3

Molecular Weight

  • 207.228
 

Classification Codes

  • Antidepressive Agents
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Monoamine Oxidase Inhibitors
  • Psychotropic Drugs
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Names and Synonyms

Name of Substance

  • Toloxatone
  • Toloxatone [INN]

Synonyms

  • 5-(Hydroxymethyl)-3-(3-methylphenyl)-2-oxazolidinone
  • 5-Hydroxymethyl-3-(m-tolyl)-2-oxazolidinone
  • 69276 MD
  • BRN 0527506
  • Delalande 69276
  • EINECS 249-522-2
  • Humoryl
  • Perenum
  • Toloxatona
  • Toloxatona [INN-Spanish]
  • Toloxatone
  • Toloxatonum
  • Toloxatonum [INN-Latin]
  • UNII-5T206015T5

Systematic Names

  • 2-Oxazolidinone, 5-hydroxymethyl-3-(m-tolyl)-
  • 5-(Hydroxymethyl)-3-(3-methylphenyl)-2-oxazolidinone
  • 5-(Hydroxymethyl)-3-m-tolyl-2-oxazolidinone
  • Toloxatone

Registry Numbers

CAS Registry Number

  • 29218-27-7

FDA UNII

  • 5T206015T5

System Generated Number

  • 0029218277

Structure Descriptors

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

N1(c2cc(ccc2)C)C[C@@H](CO)OC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Drugs of the Future. Vol. 1, Pg. 569, 1976.
mouse LD50 oral 1300mg/kg (1300mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Drugs of the Future. Vol. 1, Pg. 569, 1976.
rat LD50 oral 1225mg/kg (1225mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Drugs of the Future. Vol. 1, Pg. 569, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 76 deg C   EXP
log P (octanol-water) 1.880 (none)   EST
Atmospheric OH Rate Constant 5.12E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.