Apixaban acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H24N4O5
Molecular Weight	460.4819
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(O)=O)C3=C2C(=O)N(CC3)C4=CC=C(C=C4)N5CCCCC5=O

InChI

InChIKey=PPUHOTDYJQGTAE-UHFFFAOYSA-N

InChI=1S/C25H24N4O5/c1-34-19-11-9-18(10-12-19)29-23-20(22(26-29)25(32)33)13-15-28(24(23)31)17-7-5-16(6-8-17)27-14-3-2-4-21(27)30/h5-12H,2-4,13-15H2,1H3,(H,32,33)

HIDE SMILES / InChI

Molecular Formula	C25H24N4O5
Molecular Weight	460.4819
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 19:30:51 UTC 2023` Edited by `admin` on `Sat Dec 16 19:30:51 UTC 2023`
Record UNII	VKR3573LDM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Apixaban acid

Common Name

English

1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-

Systematic Name

English

1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid

Systematic Name

English

Apixaban acid [USP IMPURITY]

Common Name

English

Apixaban carboxylic acid impurity

Common Name

English

4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid

Systematic Name

English

Apixaban carboxylic acid

Common Name

English

Apixaban Acid Impurity

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70623725

Created by admin on Sat Dec 16 19:30:51 UTC 2023 , Edited by admin on Sat Dec 16 19:30:51 UTC 2023

PRIMARY

FDA UNII

VKR3573LDM

Created by admin on Sat Dec 16 19:30:51 UTC 2023 , Edited by admin on Sat Dec 16 19:30:51 UTC 2023

PRIMARY

CAS

503614-92-4

Created by admin on Sat Dec 16 19:30:51 UTC 2023 , Edited by admin on Sat Dec 16 19:30:51 UTC 2023

PRIMARY

PUBCHEM

22240440

Created by admin on Sat Dec 16 19:30:51 UTC 2023 , Edited by admin on Sat Dec 16 19:30:51 UTC 2023

PRIMARY

Related Record Type Details


					3Z9Y7UWC1J

APIXABAN

PARENT -> IMPURITY

Amount: