Tafamidis meglumineProduct ingredient for Tafamidis

Name
Tafamidis meglumine
Drug Entry
Tafamidis

Tafamidis and tafamidis meglumine (FX-1006A) are benzoxazole derivatives1 developed by FoldRX.4 Tafamidis is structurally similar to diflusinal.4

Tafamidis was granted an EMA market authorisation on 16 November 20116 and FDA approval on 3 May 2019.7

Accession Number
DBSALT002673
Structure
Synonyms
Tafamidis meglumine
External IDs
FX-1006A / FX1006A
UNII
ZU7CF08A1A
CAS Number
951395-08-7
Weight
Average: 503.33
Monoisotopic: 502.0909711
Chemical Formula
C21H24Cl2N2O8
InChI Key
DQJDBUPLRMRBAB-WZTVWXICSA-N
InChI
InChI=1S/C14H7Cl2NO3.C7H17NO5/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-6H,(H,18,19);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
IUPAC Name
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C1=CC=C2N=C(OC2=C1)C1=CC(Cl)=CC(Cl)=C1
ChemSpider
28530820
ChEBI
79345
ChEMBL
CHEMBL2105675
Wikipedia
Tafamidis
Predicted Properties
PropertyValueSource
Water Solubility0.0323 mg/mLALOGPS
logP3.91ALOGPS
logP4.21Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)3.6Chemaxon
pKa (Strongest Basic)-0.4Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area63.33 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity84.69 m3·mol-1Chemaxon
Polarizability29.74 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon