BETRIXABAN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H22ClN5O3
Molecular Weight	451.905
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BETRIXABAN

Structure Search

SMILES

COC1=CC(C(=O)NC2=CC=C(Cl)C=N2)=C(NC(=O)C3=CC=C(C=C3)C(=N)N(C)C)C=C1

InChI

InChIKey=XHOLNRLADUSQLD-UHFFFAOYSA-N

InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)

HIDE SMILES / InChI

Molecular Formula	C23H22ClN5O3
Molecular Weight	451.905
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 `Fri Dec 15 16:12:18 UTC 2023` Edited by `admin` on `Fri Dec 15 16:12:18 UTC 2023`
Record UNII	74RWP7W0J9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BETRIXABAN

Official Name

English

PRT-054021

Code

English

Betrixaban [WHO-DD]

Common Name

English

BETRIXABAN [MI]

Common Name

English

betrixaban [INN]

Common Name

English

N-(5-Chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide

Systematic Name

English

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

Systematic Name

English

BETRIXABAN [USAN]

Common Name

English

BETRIXABAN [ORANGE BOOK]

Common Name

English

PRT054021

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C263

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

NDF-RT

N0000175637

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID10954727

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

ChEMBL

CHEMBL512351

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

RXCUI

1927851

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

LACTMED

Betrixaban

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

MESH

C543086

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

NCI_THESAURUS

C75154

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

INN

8950

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

CHEBI

140421

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

EVMPD

SUB180756

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

WIKIPEDIA

Betrixaban

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

SMS_ID

100000166590

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

PUBCHEM

10275777

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

DRUG BANK

DB12364

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

CAS

330942-05-7

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

FDA UNII

74RWP7W0J9

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

DRUG CENTRAL

5241

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

MERCK INDEX

m12019

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

USAN

TT-02

Created by admin on Fri Dec 15 16:12:18 UTC 2023 , Edited by admin on Fri Dec 15 16:12:18 UTC 2023

PRIMARY

Related Record Type Details


					28Z3021TMU

BETRIXABAN MALEATE

SALT/SOLVATE -> PARENT

Amount:


					HYF6HN9XGQ

FACTOR XA

TARGET -> INHIBITOR

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

IC50

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:


					HYF6HN9XGQ

FACTOR XA

TARGET -> INHIBITOR

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

IC50

Amount:


					74RWP7W0J9

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					0P94UQE6SY

COAGULATION FACTOR X HUMAN

TARGET -> INHIBITOR

Amount:


					SEV29N8JND

POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2

OFF-TARGET->INHIBITOR

Qualification:

Ki

Amount:

Related Record Type Details


					QM4L396SZA

2-AMINO-N-(5-CHLORO-2-PYRIDINYL)-5-METHOXYBENZAMIDE

METABOLITE -> PARENT

Amount:


					T66FMU6F9U

METABOLITE INACTIVE -> PARENT

Amount:


					JH6MAQ7LWG

2-Amino-N-(5-chloro-2-pyridinyl)-5-hydroxybenzamide

METABOLITE -> PARENT

Amount:


					P4V8YJ0A0N

METABOLITE ACTIVE -> PARENT

Amount:


					KQ7WB43S8V

2-AMINO-N-(5-CHLORO-2-PYRIDYL)-3-HYDROXY-5-METHOXY-BENZAMIDE

METABOLITE -> PARENT

Amount:


					J86KUA84SP

O-DESMETHYL BETRIXABAN

METABOLITE ACTIVE -> PARENT

Amount:


					QB2G5YT2L2

METABOLITE INACTIVE -> PARENT

Amount:

Related Record Type Details


					74RWP7W0J9

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
FOOD EFFECT (CMAX)	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

FOOD EFFECT (AUC)	PHARMACOKINETIC

Tmax	PHARMACOKINETIC