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Substance Name: 4-Acetamidosalicylic acid
RN: 50-86-2
UNII: I7C1010RKE
InChIKey: YBTVSGCNBZPRBD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-N-O4

Molecular Weight

  • 195.1731
 
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Names and Synonyms

Name of Substance

  • 4-Acetamidosalicylic acid

Synonyms

  • 4-(Acetylamino)-2-hydroxybenzoic acid
  • 4-14-00-02020 (Beilstein Handbook Reference)
  • 4-Acetamido-2-hydroxybenzoic acid
  • 4-Acetamidosalicylic acid
  • 4-Acetaminosalicylic acid
  • 4-Azetaminosalizylsaeure
  • 4-Azetaminosalizylsaeure [German]
  • Acide 4-acetaminosalicylique
  • Acide 4-acetaminosalicylique [French]
  • Benzoic acid, 4-acetamido-2-hydroxy-
  • BRN 0395899
  • EINECS 200-069-9
  • N-Acetyl-4-aminosalicyclic acid
  • N-Acetyl-p-aminosalicylic acid
  • N-Acetyl-pas
  • NSC 54182
  • p-Acetamidosalicylic acid
  • UNII-I7C1010RKE
  • WS 176

Systematic Names

  • 4-Acetamidosalicylic acid
  • Benzoic acid, 4-(acetylamino)-2-hydroxy- (9CI)
  • Salicylic acid, 4-acetamido-

Registry Numbers

CAS Registry Number

  • 50-86-2

FDA UNII

  • I7C1010RKE

System Generated Number

  • 0000050862

Structure Descriptors

InChI

1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)

InChIKey

YBTVSGCNBZPRBD-UHFFFAOYSA-N

Smiles

N(C(=O)C)c1cc(c(cc1)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2048mg/kg (2048mg/kg)   Medicina Experimentalis. Vol. 11, Pg. 325, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.62 (none)   EXP
Water Solubility 1920 mg/L 25 EST
Vapor Pressure 1.13E-08 mm Hg 25 EST
Henry's Law Constant 1.63E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.93E-11 cm3/molecule-sec 25 EST

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