tafamidis (CHEBI:78538)

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ChEBI Name	tafamidis

ChEBI ID	CHEBI:78538

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Toni Morrison

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Formula

C14H7Cl2NO3

Net Charge

Average Mass

308.11600

Monoisotopic Mass

306.98030

InChI

InChI=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)

InChIKey

TXEIIPDJKFWEEC-UHFFFAOYSA-N

SMILES

OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Application(s):	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	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	tafamidis(1−) (CHEBI:79344) is conjugate base of tafamidis (CHEBI:78538)

IUPAC Name

2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid

Synonyms	Sources
2-(3,5-dichlorophenyl)benzoxazole-6-carboxylic acid	ChemIDplus
Fx-1006	ChemIDplus

Last Modified

22 February 2017