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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

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

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

BEHAVIORAL: COMA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Drugs of the Future. Vol. 1, Pg. 569, 1976.
rat LD50 oral 1225mg/kg (1225mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

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