U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C14H18N6O.ClH
Molecular Weight 322.793
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of trans-Abacavir hydrochloride

SMILES

Cl.NC1=NC(NC2CC2)=C3N=CN([C@@H]4C[C@@H](CO)C=C4)C3=N1

InChI

InChIKey=QXNOPHSMRJNHHG-GNAZCLTHSA-N
InChI=1S/C14H18N6O.ClH/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);1H/t8-,10-;/m0./s1

HIDE SMILES / InChI

Description

Trans-abacavir is the trans-isomer of abacavir, considered to be abacavir USP impurity. Abacavir, a nucleoside analog, is indicated in combination with other antiretroviral agents for the treatment of HIV-1 infection.

Approval Year

Unknown
149124
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
Abacavir sulfate impurity D hydrochloride [EP impurity]
Preferred Name English
trans-Abacavir hydrochloride
Common Name English
2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, hydrochloride (1:1), (1R,4R)-rel-
Systematic Name English
[(1R,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-enyl]methanol hydrochloride
Systematic Name English
2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, monohydrochloride, (1R,4R)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
JR35PEU7G2
Created by admin on Wed Apr 02 17:32:32 GMT 2025 , Edited by admin on Wed Apr 02 17:32:32 GMT 2025
PRIMARY
PUBCHEM
71312692
Created by admin on Wed Apr 02 17:32:32 GMT 2025 , Edited by admin on Wed Apr 02 17:32:32 GMT 2025
PRIMARY
CAS
267668-71-3
Created by admin on Wed Apr 02 17:32:32 GMT 2025 , Edited by admin on Wed Apr 02 17:32:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID10746902
Created by admin on Wed Apr 02 17:32:32 GMT 2025 , Edited by admin on Wed Apr 02 17:32:32 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966