|
gptkbp:instanceOf
|
gptkb:chemical_compound
estrogen
benzoic acid derivative
|
|
gptkbp:ATCCode
|
gptkb:N02BA01
|
|
gptkbp:boilingPoint
|
140°C (decomposes)
|
|
gptkbp:CASNumber
|
50-78-2
|
|
gptkbp:commonName
|
gptkb:aspirin
|
|
gptkbp:contraindication
|
children with viral infections (risk of Reye's syndrome)
|
|
gptkbp:foundIn
|
many over-the-counter medications
|
|
gptkbp:has_hazard_statement
|
may cause gastrointestinal irritation
|
|
gptkbp:hasInChIKey
|
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
|
|
gptkbp:hasMolecularFormula
|
C9H8O4
|
|
gptkbp:hasSMILES
|
CC(=O)Oc1ccccc1C(=O)O
|
|
gptkbp:hasUNII
|
R16CO5Y76E
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
2-Acetoxybenzoic acid
|
|
gptkbp:is_a_prodrug_of
|
gptkb:salicylic_acid
|
|
gptkbp:is_classified_as
|
gptkb:anticoagulant
nonsteroidal anti-inflammatory drug (NSAID)
|
|
gptkbp:is_hydrolyzed_to
|
salicylic acid and acetic acid
|
|
gptkbp:is_marketed_by
|
gptkb:Bayer
|
|
gptkbp:is_metabolized_to
|
gptkb:salicylic_acid
|
|
gptkbp:is_slightly_soluble_in
|
gptkb:water
|
|
gptkbp:is_used_to_prevent
|
blood clots
|
|
gptkbp:is_used_to_treat
|
fever
pain
inflammation
|
|
gptkbp:isSolubleIn
|
ethanol
Ether
|
|
gptkbp:IUPACName
|
2-acetoxybenzoic acid
|
|
gptkbp:mass
|
180.16 g/mol
|
|
gptkbp:meltingPoint
|
135°C
|
|
gptkbp:PubChem_CID
|
2157
2244
DB00945
CHEBI:15365
|
|
gptkbp:usedFor
|
analgesic
antipyretic
anti-inflammatory drug
|
|
gptkbp:was_first_synthesized_by
|
gptkb:Felix_Hoffmann
|
|
gptkbp:was_first_synthesized_in
|
1897
|
|
gptkbp:bfsParent
|
gptkb:CHEMBL98
gptkb:CHEMBL39
|
|
gptkbp:bfsLayer
|
7
|