Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H21F3N2O4S |
Molecular Weight | 466.4753 |
Optical Activity | NONE |
Additional Stereochemistry | Yes |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | AXIAL, S |
SHOW SMILES / InChI
SMILES
Cc1c(cn(CCO)c1-c2ccccc2C(F)(F)F)C(=O)Nc3ccc(cc3)S(=O)(=O)C
InChI
InChIKey=NOSNHVJANRODGR-UHFFFAOYSA-N
InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)
Molecular Formula | C22H21F3N2O4S |
Molecular Weight | 466.4753 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 07:14:46 UTC 2021
by
admin
on
Sat Jun 26 07:14:46 UTC 2021
|
Record UNII |
N62TGJ04A1
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Common Name | English |
Code System | Code | Type | Description | ||
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10230
Created by
admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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PRIMARY | |||
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N62TGJ04A1
Created by
admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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880780-76-7
Created by
admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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NON-SPECIFIC STEREOCHEMISTRY | |||
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25052023
Created by
admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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CHEMBL3545393
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admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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DB15207
Created by
admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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1632006-28-0
Created by
admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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PRIMARY | |||
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C174741
Created by
admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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Esaxerenone
Created by
admin on Sat Jun 26 07:14:46 UTC 2021 , Edited by admin on Sat Jun 26 07:14:46 UTC 2021
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METABOLIC ENZYME -> SUBSTRATE | |||
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METABOLIC ENZYME -> SUBSTRATE |
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TARGET -> INHIBITOR | |||
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METABOLIC ENZYME -> SUBSTRATE | |||
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TRANSPORTER -> SUBSTRATE | |||
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METABOLIC ENZYME -> SUBSTRATE | |||
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METABOLIC ENZYME -> SUBSTRATE | |||
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EXCRETED UNCHANGED |
FECAL
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EXCRETED UNCHANGED |
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TRANSPORTER -> SUBSTRATE |
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METABOLITE -> PARENT |
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METABOLITE -> PARENT |
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METABOLITE -> PARENT |
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METABOLITE -> PARENT |
PLASMA
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PARENT -> METABOLITE |
URINE
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METABOLITE -> PARENT |
the sum of the excretion ratio of M11 and M12 was approximately 13%.
URINE
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METABOLITE -> PARENT |
FECAL
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METABOLITE -> PARENT |
URINE
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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Tmax | PHARMACOKINETIC |
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SINGLE DOSE |
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blood-to-plasma ratio | PHARMACOKINETIC |
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