TECARFARIN SODIUM

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII G7MLG4D955
EPA CompTox DTXSID20143302

Structure

InChI Key DTAROZQXDYVCQR-UHFFFAOYSA-M
Smiles CC(OC(=O)c1ccc(Cc2c([O-])c3ccccc3oc2=O)cc1)(C(F)(F)F)C(F)(F)F.[Na+]
InChI
InChI=1S/C21H14F6O5.Na/c1-19(20(22,23)24,21(25,26)27)32-17(29)12-8-6-11(7-9-12)10-14-16(28)13-4-2-3-5-15(13)31-18(14)30;/h2-9,28H,10H2,1H3;/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H13F6NaO5
Molecular Weight 482.31
AlogP 5.13
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 76.74
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 32.0

Cross References

Resources Reference
ChEMBL CHEMBL2105676
FDA SRS G7MLG4D955
PubChem 44201125
CONTENTS