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Substance Name: Salicin [USP]
RN: 138-52-3
UNII: 4649620TBZ
InChIKey: NGFMICBWJRZIBI-UJPOAAIJSA-N

Molecular Formula

  • C13-H18-O7

Molecular Weight

  • 286.2782
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Cyclooxygenase Inhibitors
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Salicin
  • Salicin [USP]

Synonyms

  • 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside
  • AI3-19099
  • Benzyl alcohol, o-hydroxy-, o-glucoside
  • EINECS 205-331-6
  • NSC 5751
  • o-(Hydroxymethyl)phenyl beta-D-glucopyranoside
  • Salicin
  • Salicine
  • Salicoside
  • Salicyl alcohol glucoside
  • Saligenin beta-D-glucopyranoside
  • Saligenin-beta-D-glucopyranoside
  • UNII-4649620TBZ

Systematic Names

  • alpha-Hydroxy-o-tolyl beta-D-glucopyranoside
  • B-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
  • beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
  • Salicin (6CI,8CI)

Registry Numbers

CAS Registry Number

  • 138-52-3

FDA UNII

  • 4649620TBZ

Other Registry Number

  • 30370-90-2

System Generated Number

  • 0000138523

Structure Descriptors

InChI

1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1

InChIKey

NGFMICBWJRZIBI-UJPOAAIJSA-N

Smiles

c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 63, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 207 deg C   EXP
log P (octanol-water) -1.22E+00 (none)   EXP
Water Solubility 4.00E+04 mg/L 25 EXP
Vapor Pressure 3.98E-13 mm Hg 25 EST
Henry's Law Constant 4.64E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.16E-11 cm3/molecule-sec 25 EST

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