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Details

Stereochemistry ACHIRAL
Molecular Formula C28H24FN3O9S
Molecular Weight 597.5704
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUORO-2-(SULFOOXY)PHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE

SMILES

COc1cc2c(cc1OC)nccc2Oc3ccc(cc3)NC(=O)C4(CC4)C(=Nc5ccc(cc5OS(=O)(=O)O)F)O

InChI

InChIKey=VFXIPUKNLGLBNJ-UHFFFAOYSA-N
InChI=1S/C28H24FN3O9S/c1-38-24-14-19-21(15-25(24)39-2)30-12-9-22(19)40-18-6-4-17(5-7-18)31-26(33)28(10-11-28)27(34)32-20-8-3-16(29)13-23(20)41-42(35,36)37/h3-9,12-15H,10-11H2,1-2H3,(H,31,33)(H,32,34)(H,35,36,37)

HIDE SMILES / InChI

Molecular Formula C28H24FN3O9S
Molecular Weight 597.5704
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 Sat Jun 26 01:45:18 UTC 2021
Edited
by admin
on Sat Jun 26 01:45:18 UTC 2021
Record UNII
MC20MXE412
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUORO-2-(SULFOOXY)PHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
Systematic Name English
1,1-CYCLOPROPANEDICARBOXAMIDE, N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUORO-2-(SULFOOXY)PHENYL)-
Systematic Name English
CABOZANTINIB METABOLITE M9
Common Name English
EXEL-1646
Common Name English
Code System Code Type Description
FDA UNII
MC20MXE412
Created by admin on Sat Jun 26 01:45:18 UTC 2021 , Edited by admin on Sat Jun 26 01:45:18 UTC 2021
PRIMARY
PUBCHEM
86269462
Created by admin on Sat Jun 26 01:45:18 UTC 2021 , Edited by admin on Sat Jun 26 01:45:18 UTC 2021
PRIMARY
CAS
1628530-40-4
Created by admin on Sat Jun 26 01:45:18 UTC 2021 , Edited by admin on Sat Jun 26 01:45:18 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE
PARENT -> METABOLITE
MAJOR
PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC