O-DESMETHYL BETRIXABAN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H20ClN5O3
Molecular Weight	437.879
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(O)C=C2)C(=O)NC3=NC=C(Cl)C=C3

InChI

InChIKey=XALQAROEPNDIFZ-UHFFFAOYSA-N

InChI=1S/C22H20ClN5O3/c1-28(2)20(24)13-3-5-14(6-4-13)21(30)26-18-9-8-16(29)11-17(18)22(31)27-19-10-7-15(23)12-25-19/h3-12,24,29H,1-2H3,(H,26,30)(H,25,27,31)

HIDE SMILES / InChI

Molecular Formula	C22H20ClN5O3
Molecular Weight	437.879
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 13:54:18 UTC 2023` Edited by `admin` on `Sat Dec 16 13:54:18 UTC 2023`
Record UNII	J86KUA84SP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-DESMETHYL BETRIXABAN

Common Name

English

N-(5-CHLORO-2-PYRIDINYL)-2-((4-((DIMETHYLAMINO)IMINOMETHYL)BENZOYL)AMINO)-5-HYDROXYBENZAMIDE

Systematic Name

English

PRT-058326

Code

English

BENZAMIDE, N-(5-CHLORO-2-PYRIDINYL)-2-((4-((DIMETHYLAMINO)IMINOMETHYL)BENZOYL)AMINO)-5-HYDROXY-

Systematic Name

English

Code System Code Type Description

CAS

1616693-59-4

Created by admin on Sat Dec 16 13:54:19 UTC 2023 , Edited by admin on Sat Dec 16 13:54:19 UTC 2023

PRIMARY

FDA UNII

J86KUA84SP

Created by admin on Sat Dec 16 13:54:19 UTC 2023 , Edited by admin on Sat Dec 16 13:54:19 UTC 2023

PRIMARY

PUBCHEM

68023123

Created by admin on Sat Dec 16 13:54:19 UTC 2023 , Edited by admin on Sat Dec 16 13:54:19 UTC 2023

PRIMARY

Related Record Type Details


					74RWP7W0J9

BETRIXABAN

PARENT -> METABOLITE ACTIVE

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount: