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Details

Stereochemistry ACHIRAL
Molecular Formula C27H22ClN3O4
Molecular Weight 487.934
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIDUFEXOR

SMILES

CN1N=C(C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C(O)=O)C4=C1C5=CC(Cl)=CC=C5OC4

InChI

InChIKey=JYTIXGYXBIBOMN-UHFFFAOYSA-N
InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)

HIDE SMILES / InChI

Molecular Formula C27H22ClN3O4
Molecular Weight 487.934
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Cmax

ValueDoseCo-administeredAnalytePopulation
1090 ng/mL
50 mg single, oral
NIDUFEXOR plasma
Homo sapiens
1300 ng/mL
50 mg 1 times / day multiple, oral
NIDUFEXOR plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
3710 ng × h/mL
50 mg single, oral
NIDUFEXOR plasma
Homo sapiens
4850 ng × h/mL
50 mg 1 times / day multiple, oral
NIDUFEXOR plasma
Homo sapiens
Substance Class Chemical
Record UNII
CJ1PL0TE6J
Record Status Validated (UNII)
Record Version