Apixaban ethyl ester

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H28N4O5
Molecular Weight	488.535
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)N4CCCCC4=O)C5=CC=C(OC)C=C5

InChI

InChIKey=PULNLYVCJSOXKS-UHFFFAOYSA-N

InChI=1S/C27H28N4O5/c1-3-36-27(34)24-22-15-17-30(19-9-7-18(8-10-19)29-16-5-4-6-23(29)32)26(33)25(22)31(28-24)20-11-13-21(35-2)14-12-20/h7-14H,3-6,15-17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C27H28N4O5
Molecular Weight	488.535
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 19:15:00 UTC 2023` Edited by `admin` on `Sat Dec 16 19:15:00 UTC 2023`
Record UNII	Q9LMP4ZJ6N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Apixaban ethyl ester

Common Name

English

Apixaban Impurity 9

Common Name

English

Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate.

Systematic Name

English

Apixaban Ester Impurity

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]-, ethyl ester

Common Name

English

Apixaban ethyl ester [USP IMPURITY]

Common 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 ethyl ester

Common Name

English

Code System Code Type Description

FDA UNII

Q9LMP4ZJ6N

Created by admin on Sat Dec 16 19:15:01 UTC 2023 , Edited by admin on Sat Dec 16 19:15:01 UTC 2023

PRIMARY

CAS

503614-91-3

Created by admin on Sat Dec 16 19:15:01 UTC 2023 , Edited by admin on Sat Dec 16 19:15:01 UTC 2023

PRIMARY

PUBCHEM

22240488

Created by admin on Sat Dec 16 19:15:01 UTC 2023 , Edited by admin on Sat Dec 16 19:15:01 UTC 2023

PRIMARY

EPA CompTox

DTXSID50623728

Created by admin on Sat Dec 16 19:15:01 UTC 2023 , Edited by admin on Sat Dec 16 19:15:01 UTC 2023

PRIMARY

Related Record Type Details


					3Z9Y7UWC1J

APIXABAN

PARENT -> IMPURITY

Amount: