3-HYDROXY-APATINIB, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H23N5O2
Molecular Weight	413.4717
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1CC[C@](C1)(C#N)C2=CC=C(NC(=O)C3=CC=CN=C3NCC4=CC=NC=C4)C=C2

InChI

InChIKey=PIRKQCNHXCEZRZ-YKSBVNFPSA-N

InChI=1S/C24H23N5O2/c25-16-24(10-7-20(30)14-24)18-3-5-19(6-4-18)29-23(31)21-2-1-11-27-22(21)28-15-17-8-12-26-13-9-17/h1-6,8-9,11-13,20,30H,7,10,14-15H2,(H,27,28)(H,29,31)/t20-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H23N5O2
Molecular Weight	413.4717
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:28:18 GMT 2023` Edited by `admin` on `Sat Dec 16 17:28:18 GMT 2023`
Record UNII	WD3N2P38NO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-HYDROXY-APATINIB, TRANS-

Common Name

English

3-PYRIDINECARBOXAMIDE, N-(4-((1R,3R)-1-CYANO-3-HYDROXYCYCLOPENTYL)PHENYL)-2-((4-PYRIDINYLMETHYL)AMINO)-, REL-

Systematic Name

English

APATINIB METABOLITE M1-1

Common Name

English

Code System Code Type Description

FDA UNII

WD3N2P38NO

Created by admin on Sat Dec 16 17:28:18 GMT 2023 , Edited by admin on Sat Dec 16 17:28:18 GMT 2023

PRIMARY

PUBCHEM

71664674

Created by admin on Sat Dec 16 17:28:18 GMT 2023 , Edited by admin on Sat Dec 16 17:28:18 GMT 2023

PRIMARY

CAS

1376710-38-1

Created by admin on Sat Dec 16 17:28:18 GMT 2023 , Edited by admin on Sat Dec 16 17:28:18 GMT 2023

PRIMARY

Related Record Type Details


					798536Z7S0

VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					9B09G8YMGH

PLATELET-DERIVED GROWTH FACTOR RECEPTOR BETA

TARGET -> INHIBITOR

Qualification:

IC50

Amount:

Related Record Type Details


					5S371K6132

RIVOCERANIB

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:


					5S371K6132

RIVOCERANIB

PARENT -> METABOLITE

Qualification:

FECAL

Amount:


					5S371K6132

RIVOCERANIB

PARENT -> METABOLITE

Qualification:

URINE

Amount:

Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC	AT DAY 28 ONCE DAILY ORAL ADMINISTRATION DOSE

Tmax	PHARMACOKINETIC	DOSE ORAL ADMINISTRATION AT DAY 28 ONCE DAILY