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CHEBI:78538 - tafamidis

ChEBI IDCHEBI:78538
ChEBI Nametafamidis
Stars
DefinitionA member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole-6-carboxylic acid in which the hydrogen at position 2 is replaced by a 3,5-dichlorophenyl group. Used (as its meglumine salt) for the amelioration of transthyretin-related hereditary amyloidosis.
Last Modified22 February 2017
Submittertmorrison
DownloadsMolfile
FormulaC14H7Cl2NO3
Net Charge0
Average Mass308.120
Monoisotopic Mass306.98030
SMILESO=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
InChIKeyTXEIIPDJKFWEEC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
central nervous system drug  A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
tafamidis (CHEBI:78538) has role central nervous system drug (CHEBI:35470)
tafamidis (CHEBI:78538) is a 1,3-benzoxazoles (CHEBI:51548)
tafamidis (CHEBI:78538) is a dichlorobenzene (CHEBI:23697)
tafamidis (CHEBI:78538) is a monocarboxylic acid (CHEBI:25384)
tafamidis (CHEBI:78538) is conjugate acid of tafamidis(1−) (CHEBI:79344)
Incoming Relation(s)
tafamidis(1−) (CHEBI:79344) is conjugate base of tafamidis (CHEBI:78538)
IUPAC Name 
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
INNs  Source
tafamidisKEGG DRUG
tafamidisWHO MedNet
tafamidisWHO MedNet
tafamidisumWHO MedNet
Synonyms  Source
2-(3,5-dichlorophenyl)benzoxazole-6-carboxylic acidChemIDplus
Fx-1006ChemIDplus
Manual XrefsDatabases
D09673KEGG DRUG
3MIPDBeChem
WO2013060668Patent
WO2011131661Patent
TafamidisWikipedia
4192DrugCentral
Registry NumbersSources
Reaxys:9496624Reaxys
CAS:594839-88-0KEGG DRUG
CAS:594839-88-0ChemIDplus
Citations