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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19FN2O6S
Molecular Weight 410.4184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-544439

SMILES

c1cc(ccc1F)Oc2ccc(cc2)S(=O)(=O)NC3(CCOCC3)C(=NO)O

InChI

InChIKey=ZBRHTUMWSDPCMI-UHFFFAOYSA-N
InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)

HIDE SMILES / InChI

Molecular Formula C18H19FN2O6S
Molecular Weight 410.4184
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 Fri Jun 25 23:01:07 UTC 2021
Edited
by admin
on Fri Jun 25 23:01:07 UTC 2021
Record UNII
516DO4KL5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-544439
Common Name English
2H-PYRAN-4-CARBOXAMIDE, 4-(((4-(4-FLUOROPHENOXY)PHENYL)SULFONYL)AMINO)TETRAHYDRO-N-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
516DO4KL5R
Created by admin on Fri Jun 25 23:01:07 UTC 2021 , Edited by admin on Fri Jun 25 23:01:07 UTC 2021
PRIMARY
EPA CompTox
230954-09-3
Created by admin on Fri Jun 25 23:01:07 UTC 2021 , Edited by admin on Fri Jun 25 23:01:07 UTC 2021
PRIMARY
CAS
230954-09-3
Created by admin on Fri Jun 25 23:01:07 UTC 2021 , Edited by admin on Fri Jun 25 23:01:07 UTC 2021
PRIMARY
PUBCHEM
9866250
Created by admin on Fri Jun 25 23:01:07 UTC 2021 , Edited by admin on Fri Jun 25 23:01:07 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
METABOLITE -> PARENT
PLASMA; URINE
METABOLITE -> PARENT
PLASMA; URINE
PARENT -> METABOLITE
BINDING
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

FASTED STATE

HEALTHY MALE HUMAN VOLUNTEERS

SINGLE DOSE

Biological Half-life PHARMACOKINETIC SINGLE DOSE

ORAL ADMINISTRATION

HEALTHY MALE HUMAN VOLUNTEERS

FASTED STATE