EDOXABAN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30ClN7O4S
Molecular Weight	548.058
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EDOXABAN

Structure Search

SMILES

CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C3=NC4=C(CN(C)CC4)S3

InChI

InChIKey=HGVDHZBSSITLCT-JLJPHGGASA-N

InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H30ClN7O4S
Molecular Weight	548.057
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:50:42 UTC 2023` Edited by `admin` on `Sat Dec 16 17:50:42 UTC 2023`
Record UNII	NDU3J18APO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EDOXABAN

Official Name

English

N-(5-CHLOROPYRIDIN-2-YL)-N'-((1S,2R,4S)-4-(N,N-DIMETHYLCARBAMOYL)-2-(5-METHYL-4,5,6,7- TETRAHYDRO(1,3)THIAZOLO(5,4-C)PYRIDINE-2-CARBOXAMIDO)CYCLOHEXYL)OXAMIDE

Systematic Name

English

EDOXABAN [MART.]

Common Name

English

EDOXABAN [MI]

Common Name

English

EDOXABAN [USAN]

Common Name

English

Edoxaban [WHO-DD]

Common Name

English

DU-176

Code

English

ETHANEDIAMIDE, N1-(5-CHLORO-2-PYRIDINYL)-N2-((1S,2R,4S)-4- ((DIMETHYLAMINO)CARBONYL)- 2-(((4,5,6,7-TETRAHYDRO-5-METHYLTHIAZOLO(5,4-C)PYRIDIN-2-YL)CARBONYL)AMINO)CYCLOHEXYL)-

Common Name

English

edoxaban [INN]

Common Name

English

Classification Tree Code System Code

WHO-ATC

B01AF03

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

NDF-RT

N0000175637

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID50197398

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

JAPANESE REVIEW

LIXIANA

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

APPROVED APRIL 2011

JAPANESE REVIEW

LIXIANA

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

APPROVED APRIL 2011

MERCK INDEX

m4832

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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Merck Index

INN

8982

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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RXCUI

1599538

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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RxNorm

DRUG CENTRAL

4897

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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MESH

C552171

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

USAN

XX-17

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

CHEBI

85973

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

WIKIPEDIA

Edoxaban

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

ChEMBL

CHEMBL1269025

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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LACTMED

Edoxaban

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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EVMPD

SUB32701

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

DRUG BANK

DB09075

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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IUPHAR

7575

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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CAS

480449-70-5

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

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DAILYMED

NDU3J18APO

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

NCI_THESAURUS

C96539

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

FDA UNII

NDU3J18APO

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

CHEBI

85974

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

SMS_ID

100000126296

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

PUBCHEM

10280735

Created by admin on Sat Dec 16 17:50:44 UTC 2023 , Edited by admin on Sat Dec 16 17:50:44 UTC 2023

PRIMARY

Related Record Type Details


					HYF6HN9XGQ

FACTOR XA

TARGET -> INHIBITOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					32W99UE810

EDOXABAN TOSYLATE

SALT/SOLVATE -> PARENT


					HPN66MJEK8

LIVER CARBOXYLESTERASE 1

METABOLIC ENZYME -> SUBSTRATE

Amount:


					972203R4EW

EDOXABAN TOSYLATE MONOHYDRATE

SALT/SOLVATE -> PARENT


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					IV344R972X

D21-2393

METABOLITE ACTIVE -> PARENT

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA; URINE

Amount:


					Q8UV5CM3B4

EDOXABAN N-OXIDE

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE


					OWE3Y1F1FV

N-DESMETHYL EDOXABAN

METABOLITE ACTIVE -> PARENT

Qualification:

FECAL; PLASMA; URINE


					O6M2SP32HL

DES((5-CHLORO-2-PYRIDYL)CARBAMOYL)EDOXABAN CARBAMIC ACID

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA; URINE


					9O1PTP64VA

EDOXABAN N-GLUCURONIDE

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA; URINE


					NAN95BH0RH

N-MONOMETHYL EDOXABAN

METABOLITE ACTIVE -> PARENT

Qualification:

FECAL; PLASMA


					W1D9UGS1SE

DES((2-((5-CHLORO-2-PYRIDYL)AMINO)-2-OXO-ACETYL))EDOXABAN

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA

Related Record Type Details


					NDU3J18APO

EDOXABAN

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC