ENTECAVIR ANHYDROUS

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H15N5O3
Molecular Weight	277.2792
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ENTECAVIR ANHYDROUS

Structure Search

SMILES

NC1=NC2=C(N=CN2[C@H]3C[C@H](O)[C@@H](CO)C3=C)C(=O)N1

InChI

InChIKey=QDGZDCVAUDNJFG-FXQIFTODSA-N

InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H15N5O3
Molecular Weight	277.2792
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 `Fri Dec 15 15:44:04 UTC 2023` Edited by `admin` on `Fri Dec 15 15:44:04 UTC 2023`
Record UNII	NNU2O4609D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ENTECAVIR ANHYDROUS

Common Name

English

2-AMINO-9-((1S,3R,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL)-1,9-DIHYDRO-6H-PURIN-6-ONE

Systematic Name

English

Entecavir [WHO-DD]

Common Name

English

ANHYDROUS ENTECAVIR

Common Name

English

ENTECAVIR [MI]

Common Name

English

6H-PURIN-6-ONE, 2-AMINO-1,9-DIHYDRO-9-((1S,3R,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL)-

Systematic Name

English

ENTECAVIR [HSDB]

Common Name

English

entecavir [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C97452

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

NDF-RT

N0000175459

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

NDF-RT

N0000175459

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

NDF-RT

N0000175656

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

WHO-ATC

J05AF10

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

NDF-RT

N0000009947

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

NDF-RT

N0000175459

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C76494

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

HSDB

7334

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

CAS

142217-69-4

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

EVMPD

SUB25418

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

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PUBCHEM

135398508

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

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DAILYMED

NNU2O4609D

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

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MERCK INDEX

m4919

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

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Merck Index

DRUG BANK

DB00442

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID4046446

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

RXCUI

1546027

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

RxNorm

EVMPD

SUB21468

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

SMS_ID

100000089566

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

FDA UNII

NNU2O4609D

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

INN

7904

Created by admin on Fri Dec 15 15:44:04 UTC 2023 , Edited by admin on Fri Dec 15 15:44:04 UTC 2023

PRIMARY

Related Record Type Details


					5968Y6H45M

ENTECAVIR

SOLVATE->ANHYDROUS


					77H9EM77P7

HEPATITIS B VIRUS

TARGET ORGANISM->INHIBITOR

Qualification:

EC50

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					NNU2O4609D

ENTECAVIR ANHYDROUS

EXCRETED UNCHANGED

Interaction Type:

MAJOR

Qualification:

URINE

Amount:


					92A92XBK4S

ENTECAVIR MALEATE

SALT/SOLVATE -> PARENT


					5968Y6H45M

ENTECAVIR

SALT/SOLVATE -> PARENT

Related Record Type Details


					CE5XEL92SU

(2S,3S,4S,5R)-6-((1S,2R,4S)-4-(2-AMINO-6-OXO-1H-PURIN-9-YL)-2-(HYDROXYMETHYL)-3-METHYLENE-CYCLOPENTOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

PLASMA; URINE

Related Record Type Details


					NNU2O4609D

ENTECAVIR ANHYDROUS

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION SINGLE DOSE