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Substance Name: O-Methylsalicylic acid
RN: 579-75-9
UNII: 49WA6Z7GZA
InChIKey: ILUJQPXNXACGAN-UHFFFAOYSA-N

Note

  • DrugBank: Trimethobenzamide is a novel antiemetic which prevents nausea and vomiting in humans. Its actions are unclear but most likely involves the chemoreceptor trigger zone (CTZ). In dogs pretreated with trimethobenzamide HCl, the emetic response to apomorphine is inhibited, while little or no protection is afforded against emesis induced by intragastric copper sulfate.

Molecular Formula

  • C8-H8-O3

Molecular Weight

  • 152.1482
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Results Name

  • O-Methylsalicylic acid

Name of Substance

  • 2-Methoxybenzoic acid

Synonyms

  • 2-Anisic acid
  • 2-Methoxybenzoic acid
  • 4-10-00-00130 (Beilstein Handbook Reference)
  • AI3-20226
  • BRN 0509929
  • EINECS 209-447-8
  • Kyselina 2-methoxybenzoova
  • Kyselina 2-methoxybenzoova [Czech]
  • NSC 3778
  • o-Anisic acid
  • o-Methoxybenzoic acid
  • O-Methylsalicylic acid
  • Salicylic acid methyl ether
  • UNII-49WA6Z7GZA

Systematic Names

  • Benzoic acid, 2-methoxy-
  • o-Anisic acid

Registry Numbers

CAS Registry Number

  • 579-75-9

FDA UNII

  • 49WA6Z7GZA

System Generated Number

  • 0000579759

Structure Descriptors

InChI

1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey

ILUJQPXNXACGAN-UHFFFAOYSA-N

Smiles

COc1ccccc1C(=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. 52, 1954.
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   Cesko-Slovenska Farmacie. Vol. 31, Pg. 236, 1982.
rat LDLo intraperitoneal 3gm/kg (3000mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Bulletin de la Societe Royale des Sciences de Liege. Vol. 47, Pg. 202, 1978.
rat LDLo intravenous 2750mg/kg (2750mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Bulletin de la Societe Royale des Sciences de Liege. Vol. 47, Pg. 202, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 101 deg C   EXP
pKa Dissociation Constant 3.9 (none) 25 EXP
log P (octanol-water) 1.59 (none)   EXP
Water Solubility 5000 mg/L 30 EXP
Henry's Law Constant 6.41E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.31E-12 cm3/molecule-sec 25 EST

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