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Substance Name: Aspirin aluminum [JAN:NF]
RN: 23413-80-1
UNII: E33TS05V6B
InChIKey: MANKSFVECICGLK-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Al-O9

Molecular Weight

  • 402.2895
 
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Names and Synonyms

Name of Substance

  • Aluminum bis(acetylsalicylate)
  • Aspirin aluminum
  • Aspirin aluminum [JAN:NF]

Synonyms

  • Acetylsalicylate aluminum
  • Aluminium acetylsalicylate
  • Aluminium bis(O-acetyl salicylate)
  • Aluminum aspirin
  • Aluminum bis (acetyl salicylate)
  • Aluminum bis(acetylsalicylate)
  • Aspirin aluminium
  • Aspirin aluminum
  • Aspirin, aluminum
  • Bis(2-(acetyloxy)benzoato-O(sup 1))hydroxyaluminum
  • EINECS 245-645-0
  • Hydroxybis(salicylic acid acetato)aluminum
  • Hypyrin
  • UNII-E33TS05V6B

Systematic Names

  • Aluminum, bis(2-(acetyloxy)benzoato-kappaO)hydroxy-
  • Aluminum, bis(2-(acetyloxy)benzoato-O(sup 1))hydroxy- (9CI)
  • Aluminum, hydroxybis(salicylic acid acetato)-
  • Hydroxyaluminium bis(O-acetylsalicylate)

Registry Numbers

CAS Registry Number

  • 23413-80-1

FDA UNII

  • E33TS05V6B

Other Registry Numbers

  • 12568-72-8
  • 61891-32-5
  • 7219-65-0

System Generated Number

  • 0023413801

Structure Descriptors

InChI

1S/2C9H8O4.Al.H2O/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;;/h2*2-5H,1H3,(H,11,12);;1H2/q;;+3;/p-3

InChIKey

MANKSFVECICGLK-UHFFFAOYSA-K

Smiles

CC(=O)Oc1ccccc1C(=O)[O-].CC(=O)Oc1ccccc1C(=O)[O-].[OH-].[Al+3]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3700mg/kg (3700mg/kg)   Drugs in Japan Vol. 6, Pg. 13, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.480 (none)   EST
Atmospheric OH Rate Constant 3.89E-12 cm3/molecule-sec 25 EST

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