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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H24ClFN2O.CH4O3S
Molecular Weight 507.017
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINRODOSTAT MESYLATE

SMILES

CS(O)(=O)=O.C[C@H]([C@H]1CC[C@H](CC1)C2=C3C=C(F)C=CC3=NC=C2)C(=O)NC4=CC=C(Cl)C=C4

InChI

InChIKey=LZNFBNWGSDOVIO-QEFLZESTSA-N
InChI=1S/C24H24ClFN2O.CH4O3S/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23;1-5(2,3)4/h6-17H,2-5H2,1H3,(H,28,29);1H3,(H,2,3,4)/t15-,16-,17+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C24H24ClFN2O
Molecular Weight 410.912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
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

Targets

Primary TargetPharmacologyConditionPotency
1.1 nM [IC50]

Cmax

ValueDoseCo-administeredAnalytePopulation
781 ng/mL
100 mg 1 times / day steady-state, oral
LINRODOSTAT plasma
Homo sapiens
701.9 ng/mL
100 mg 1 times / day steady-state, oral
LINRODOSTAT plasma
Homo sapiens
596 ng/mL
100 mg single, oral
LINRODOSTAT plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
5922.3 ng × h/mL
100 mg 1 times / day steady-state, oral
LINRODOSTAT plasma
Homo sapiens
6048.3 ng × h/mL
100 mg 1 times / day steady-state, oral
LINRODOSTAT plasma
Homo sapiens
3380.8 ng × h/mL
100 mg single, oral
LINRODOSTAT plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
22.9 h
100 mg 1 times / day steady-state, oral
LINRODOSTAT plasma
Homo sapiens
Substance Class Chemical
Record UNII
OS7OBU191R
Record Status Validated (UNII)
Record Version