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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23N5O2
Molecular Weight 413.4726
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APATINIB-25-N-OXIDE

SMILES

C1CCC(C1)(C#N)c2ccc(cc2)NC(=O)c3cccnc3NCc4ccn(=O)cc4

InChI

InChIKey=ZIPYWOHLEIKVDH-UHFFFAOYSA-N
InChI=1S/C24H23N5O2/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)28-23(30)21-4-3-13-26-22(21)27-16-18-9-14-29(31)15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,26,27)(H,28,30)

HIDE SMILES / InChI

Molecular Formula C24H25N5O2
Molecular Weight 415.4885
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 22:48:49 UTC 2021
Edited
by admin
on Fri Jun 25 22:48:49 UTC 2021
Record UNII
T2N3HYQ3HA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APATINIB-25-N-OXIDE
Common Name English
3-PYRIDINECARBOXAMIDE, N-(4-(1-CYANOCYCLOPENTYL)PHENYL)-2-(((1-OXIDO-4-PYRIDINYL)METHYL)AMINO)-
Systematic Name English
N-(4-(1-CYANOCYCLOPENTYL)PHENYL)-2-(((1-OXIDO-4-PYRIDINYL)METHYL)AMINO)-3-PYRIDINECARBOXAMIDE
Systematic Name English
APATINIB METABOLITE M1-6
Common Name English
Code System Code Type Description
CAS
1376710-40-5
Created by admin on Fri Jun 25 22:48:49 UTC 2021 , Edited by admin on Fri Jun 25 22:48:49 UTC 2021
PRIMARY
FDA UNII
T2N3HYQ3HA
Created by admin on Fri Jun 25 22:48:49 UTC 2021 , Edited by admin on Fri Jun 25 22:48:49 UTC 2021
PRIMARY
PUBCHEM
71313461
Created by admin on Fri Jun 25 22:48:49 UTC 2021 , Edited by admin on Fri Jun 25 22:48:49 UTC 2021
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
MAJOR
PLASMA
PARENT -> METABOLITE
URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC DOSE

ONCE DAILY

AT DAY 28

ORAL ADMINISTRATION

Tmax PHARMACOKINETIC AT DAY 28

ORAL ADMINISTRATION

ONCE DAILY

DOSE