Apixaban open ring acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27N5O5
Molecular Weight	477.5124
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)N2N=C(C(N)=O)C3=C2C(=O)N(CC3)C4=CC=C(NCCCCC(O)=O)C=C4

InChI

InChIKey=JYXZVSMVCZWUPI-UHFFFAOYSA-N

InChI=1S/C25H27N5O5/c1-35-19-11-9-18(10-12-19)30-23-20(22(28-30)24(26)33)13-15-29(25(23)34)17-7-5-16(6-8-17)27-14-3-2-4-21(31)32/h5-12,27H,2-4,13-15H2,1H3,(H2,26,33)(H,31,32)

HIDE SMILES / InChI

Molecular Formula	C25H27N5O5
Molecular Weight	477.5124
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 `Wed Apr 02 16:15:47 GMT 2025` Edited by `admin` on `Wed Apr 02 16:15:47 GMT 2025`
Record UNII	46CZ96X7Y2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Apixaban open ring acid

Common Name

English

Apixaban Amino Acid Impurity

Preferred Name

English

Apixaban open ring acid [USP IMPURITY]

Common Name

English

Pentanoic acid, 5-[[4-[3-(aminocarbonyl)-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[3,4-c]pyridin-6-yl]phenyl]amino]-

Common Name

English

5-{[4-(3-Carbamoyl-1-(4-methoxyphenyl)-7-oxo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)phenyl]amino}pentanoic acid

Systematic Name

English

Code System Code Type Description

CAS

2206825-87-6

Created by admin on Wed Apr 02 16:15:47 GMT 2025 , Edited by admin on Wed Apr 02 16:15:47 GMT 2025

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FDA UNII

46CZ96X7Y2

Created by admin on Wed Apr 02 16:15:47 GMT 2025 , Edited by admin on Wed Apr 02 16:15:47 GMT 2025

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PUBCHEM

90287004

Created by admin on Wed Apr 02 16:15:47 GMT 2025 , Edited by admin on Wed Apr 02 16:15:47 GMT 2025

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Related Record Type Details


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APIXABAN

PARENT -> IMPURITY

Amount: