ABACAVIR

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H18N6O
Molecular Weight	286.3323
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ABACAVIR

Structure Search

SMILES

NC1=NC2=C(N=CN2[C@@H]3C[C@H](CO)C=C3)C(NC4CC4)=N1

InChI

InChIKey=MCGSCOLBFJQGHM-SCZZXKLOSA-N

InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H18N6O
Molecular Weight	286.3323
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:41:29 UTC 2023` Edited by `admin` on `Sat Dec 16 17:41:29 UTC 2023`
Record UNII	WR2TIP26VS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ABACAVIR

Official Name

English

abacavir [INN]

Common Name

English

ABACAVIR [MART.]

Common Name

English

(-)-CIS-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL

Systematic Name

English

ABACAVIR [VANDF]

Common Name

English

1592U89

Code

English

ABACAVIR [EMA EPAR]

Common Name

English

2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1S-CIS)-

Systematic Name

English

ABACAVIR [MI]

Common Name

English

AVACAVIR [VANDF]

Common Name

English

NSC-742406

Code

English

(1S,4R)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL

Systematic Name

English

Abacavir [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-ATC

J05AF06

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

NCI_THESAURUS

C97452

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

WHO-VATC

QJ05AF06

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

WHO-VATC

QJ05AR04

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

WHO-VATC

QJ05AR02

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

WHO-ATC

J05AR04

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

NDF-RT

N0000175459

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

EMA ASSESSMENT REPORTS

KIVEXA (AUHTORIZED: HIV INFECTIONS)

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

NDF-RT

N0000175462

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

LIVERTOX

NBK548225

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

WHO-ESSENTIAL MEDICINES LIST

6.4.2.1

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

NDF-RT

N0000175459

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

WHO-ATC

J05AR02

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

NDF-RT

N0000009947

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

NDF-RT

N0000175459

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

WHO-ATC

J05AR13

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL1380

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

DRUG BANK

DB01048

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

FDA UNII

WR2TIP26VS

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

DRUG CENTRAL

34

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

NSC

742406

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

LACTMED

Abacavir

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

DAILYMED

WR2TIP26VS

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

CHEBI

421707

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

INN

7544

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

WIKIPEDIA

ABACAVIR

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

EPA CompTox

DTXSID4046444

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

EVMPD

SUB07356MIG

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

PUBCHEM

441300

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

RXCUI

190521

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

RxNorm

CAS

136470-78-5

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

SMS_ID

100000085435

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

MERCK INDEX

m1271

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

Merck Index

NCI_THESAURUS

C61523

Created by admin on Sat Dec 16 17:41:31 UTC 2023 , Edited by admin on Sat Dec 16 17:41:31 UTC 2023

PRIMARY

Related Record Type Details


					GZP7A66C3C

ABACAVIR HYDROCHLORIDE MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					859A956UY8

HUMAN IMMUNODEFICIENCY VIRUS TYPE 1

TARGET ORGANISM->INHIBITOR

Amount:


					RP0T719KX7

ABACAVIR HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					40FH6D8CHK

ABACAVIR SUCCINATE

SALT/SOLVATE -> PARENT

Amount:


					A3Z87NSO0U

HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 POLYMERASE

TARGET -> INHIBITOR

Amount:


					J220T4J9Q2

ABACAVIR SULFATE

SALT/SOLVATE -> PARENT

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> INHIBITOR

Related Record Type Details


					546K56P9DL

CARBOVIR 5'-TRIPHOSPHATE, (-)-

METABOLITE ACTIVE -> PARENT

Interaction Type:

SUBSTRATE

Qualification:

INTRACELLULAR

Amount:


					FO2D75G53I

ABACAVIR 5'-CARBOXYLATE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Qualification:

URINE

Amount:


					6MC793401S

CARBOVIR 5'-MONOPHOSPHATE, (-)-

METABOLITE ACTIVE -> PARENT

Amount:


					2630IZQ0I0

ABACAVIR 5'-.BETA.-D-GLUCURONIDE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Qualification:

URINE

Amount:


					FO2D75G53I

ABACAVIR 5'-CARBOXYLATE

METABOLITE INACTIVE -> PARENT

Comments:

83% of the original dose was eliminated in the urine, and 16% in the feces

Interaction Type:

MAJOR

Qualification:

FECAL; URINE

Amount:


					6I6AN9D95R

ABACAVIR 5'-MONOPHOSPHATE

METABOLITE ACTIVE -> PARENT

Interaction Type:

SUBSTRATE

Qualification:

INTRACELLULAR

Amount:


					6U905D25FD

CARBOVIR DIPHOSPHATE, (-)-

METABOLITE ACTIVE -> PARENT

Interaction Type:

SUBSTRATE

Qualification:

INTRACELLULAR

Amount:

Related Record Type Details


					WR2TIP26VS

ABACAVIR

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
BREAST MILK/PLASMA RATIO	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC				POPULATION PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC				TYPE PHARMACOKINETIC

CSF/PLASMA RATIO	PHARMACOKINETIC