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

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	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	WD3N2P38NO
Record Status	`Validated (UNII)`
Record Version

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

PRIMARY

PUBCHEM

71664674

PRIMARY

CAS

1376710-38-1

PRIMARY

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Qualification:

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Amount:

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of the dose

Name	Property Type	Amount	Parameters
Biological Half-life	PHARMACOKINETIC	24.7 hours [11.8 to 37.6] (average)	AT DAY 28 ONCE DAILY ORAL ADMINISTRATION DOSE 750 mg (average)

Tmax	PHARMACOKINETIC	7.2 hours [1 to 13.4] (average)	DOSE 750 mg (average) ORAL ADMINISTRATION AT DAY 28 ONCE DAILY