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Substance Name: Glucopyranoside, 1-o-tolyl-, beta-D-
RN: 7234-31-3
InChIKey: ZMPMKKJITSCZNU-UJPOAAIJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O6

Molecular Weight

  • 270.279
 
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Names and Synonyms

Synonyms

  • 1-o-Tolyl-beta-D-glucopyranoside
  • beta-D-Glucopyranoside, 2-methylphenyl-
  • o-Tolyl-beta-D-glucoside

Systematic Name

  • Glucopyranoside, 1-o-tolyl-, beta-D-

Registry Numbers

CAS Registry Number

  • 7234-31-3

System Generated Number

  • 0007234313

Structure Descriptors

InChI

1S/C13H18O6/c1-7-4-2-3-5-8(7)18-13-12(17)11(16)10(15)9(6-14)19-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1

InChIKey

ZMPMKKJITSCZNU-UJPOAAIJSA-N

Smiles

O([C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)CO)c1ccccc1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 850mg/kg (850mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 49, Pg. 119, 1953.
mouse LD50 oral 15mg/kg (15mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 49, Pg. 84, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.16 (none)   EXP
Water Solubility 2.49E+04 mg/L 25 EST
Vapor Pressure 2.48E-11 mm Hg 25 EST
Henry's Law Constant 1.27E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.85E-11 cm3/molecule-sec 25 EST

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