Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:63816 - 4-acetamidosalicylic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
4-acetamidosalicylic acid
ChEBI ID
CHEBI:63816
Definition
A amidobenzoic acid that consists of salicylic acid bearing an acetamido substituent at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C9H9NO4
Net Charge
0
Average Mass
195.17210
Monoisotopic Mass
195.05316
InChI
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
CC(=O)Nc1ccc(C(O)=O)c(O)c1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-acetamidosalicylic acid (
CHEBI:63816
)
has functional parent
salicylic acid (
CHEBI:16914
)
4-acetamidosalicylic acid (
CHEBI:63816
)
is a
amidobenzoic acid (
CHEBI:48470
)
4-acetamidosalicylic acid (
CHEBI:63816
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
Incoming
4-acetamidosalicylate (
CHEBI:63817
)
has functional parent
4-acetamidosalicylic acid (
CHEBI:63816
)
IUPAC Name
4-acetamido-2-hydroxybenzoic acid
Synonyms
Sources
4-(Acetylamino)-2-hydroxybenzoic acid
ChemIDplus
4-Azetaminosalizylsaeure
ChemIDplus
Acide 4-acetaminosalicylique
ChemIDplus
N-Acetyl-4-aminosalicyclic acid
ChemIDplus
N-Acetyl-p-aminosalicylic acid
ChemIDplus
p-Acetamidosalicylic acid
ChemIDplus
Registry Numbers
Types
Sources
395899
Reaxys Registry Number
Reaxys
50-86-2
CAS Registry Number
ChemIDplus
Last Modified
06 February 2012