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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23N5O2
Molecular Weight 413.4717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

[O-][N+]1=CC=C(CNC2=NC=CC=C2C(=O)NC3=CC=C(C=C3)C4(CCCC4)C#N)C=C1

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 C24H24N5O2
Molecular Weight 414.4797
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 Dec 16 17:55:27 GMT 2023
Edited
by admin
on Sat Dec 16 17:55:27 GMT 2023
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 Sat Dec 16 17:55:28 GMT 2023 , Edited by admin on Sat Dec 16 17:55:28 GMT 2023
PRIMARY
FDA UNII
T2N3HYQ3HA
Created by admin on Sat Dec 16 17:55:28 GMT 2023 , Edited by admin on Sat Dec 16 17:55:28 GMT 2023
PRIMARY
PUBCHEM
71313461
Created by admin on Sat Dec 16 17:55:28 GMT 2023 , Edited by admin on Sat Dec 16 17:55:28 GMT 2023
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