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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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

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

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Wed Apr 02 17:32:32 GMT 2025
Edited
by admin
on Wed Apr 02 17:32:32 GMT 2025
Record UNII
JR35PEU7G2
Record Status Validated (UNII)
Record Version
  • Download
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