O-DEMETHYL APIXABAN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H23N5O4
Molecular Weight	445.4705
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=HGHLWAZFIGRAOT-UHFFFAOYSA-N

InChI=1S/C24H23N5O4/c25-23(32)21-19-12-14-28(16-6-4-15(5-7-16)27-13-2-1-3-20(27)31)24(33)22(19)29(26-21)17-8-10-18(30)11-9-17/h4-11,30H,1-3,12-14H2,(H2,25,32)

HIDE SMILES / InChI

Molecular Formula	C24H23N5O4
Molecular Weight	445.4705
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 05:16:50 GMT 2023` Edited by `admin` on `Sat Dec 16 05:16:50 GMT 2023`
Record UNII	SJ0XFQ18OA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-DEMETHYL APIXABAN

Common Name

English

APIXABAN METABOLITE (M2)

Common Name

English

1-(4-HYDROXYPHENYL)-7-OXO-6-(4-(2-OXOPIPERIDIN-1-YL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO(3,4-C)PYRIDINE-3-CARBOXAMIDE

Systematic Name

English

APIXABAN (M2)

Common Name

English

Code System Code Type Description

FDA UNII

SJ0XFQ18OA

Created by admin on Sat Dec 16 05:16:50 GMT 2023 , Edited by admin on Sat Dec 16 05:16:50 GMT 2023

PRIMARY

EPA CompTox

DTXSID40198415

Created by admin on Sat Dec 16 05:16:50 GMT 2023 , Edited by admin on Sat Dec 16 05:16:50 GMT 2023

PRIMARY

PUBCHEM

10203943

Created by admin on Sat Dec 16 05:16:50 GMT 2023 , Edited by admin on Sat Dec 16 05:16:50 GMT 2023

PRIMARY

CAS

503612-76-8

Created by admin on Sat Dec 16 05:16:50 GMT 2023 , Edited by admin on Sat Dec 16 05:16:50 GMT 2023

PRIMARY

Related Record Type Details


					3Z9Y7UWC1J

APIXABAN

PARENT -> METABOLITE

Interaction Type:

MINOR

Amount: