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Substance Name: Demethyldeacetylmoxisylyte
RN: 72732-50-4
InChIKey: GOHVWKGLNUZCRK-UHFFFAOYSA-N

Molecular Formula

  • C13-H21-N-O2

Molecular Weight

  • 223.314
 
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Names and Synonyms

Name of Substance

  • Demethyldeacetylmoxisylyte

Synonyms

  • (2-(4-Hydroxy-2-isopropyl-5-methylphenoxy)ethyl)methylamine
  • BRN 2449770
  • Deacetyldemethylthymoxamine
  • Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)-
  • Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-isopropyl-

Systematic Names

  • Carvacrol, 5-(2-(methylamino)ethoxy)-
  • Phenol, 2-methyl-4-(2-(methylamino)ethoxy)-5-(1-methylethyl)-, 9-cis-

Registry Numbers

CAS Registry Number

  • 72732-50-4

System Generated Number

  • 0072732504

Structure Descriptors

InChI

1S/C13H21NO2/c1-9(2)11-8-12(15)10(3)7-13(11)16-6-5-14-4/h7-9,14-15H,5-6H2,1-4H3

InChIKey

GOHVWKGLNUZCRK-UHFFFAOYSA-N

Smiles

c1(c(cc(O)c(c1)C)C(C)C)OCCNC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 84mg/kg (84mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1147, 1982.
mouse LD50 intravenous 28mg/kg (28mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1147, 1982.
mouse LD50 oral 340mg/kg (340mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 1147, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.35 (none)   EXP
Water Solubility 1.26E+04 mg/L 25 EST
Vapor Pressure 2.06E-05 mm Hg 25 EST
Henry's Law Constant 2.13E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.88E-10 cm3/molecule-sec 25 EST

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