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Details

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

SHOW SMILES / InChI
Structure of ABACAVIR, (1R,4R)-

SMILES

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

InChI

InChIKey=MCGSCOLBFJQGHM-WPRPVWTQSA-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-/m0/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

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 Sat Dec 16 09:42:22 GMT 2023
Edited
by admin
on Sat Dec 16 09:42:22 GMT 2023
Record UNII
6BVN3YCO99
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABACAVIR, (1R,4R)-
Common Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1R,4R)-
Systematic Name English
((1R,4R)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)CYCLOPENT-2-ENYL)METHANOL
Systematic Name English
ABACAVIR SULFATE IMPURITY D [EP IMPURITY]
Common Name English
TRANS-ABACAVIR R,R-
Common Name English
TRANS-ABACAVIR [USP IMPURITY]
Common Name English
ABACAVIR SULFATE IMPURITY D [WHO-IP]
Common Name English
4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)CYCLOPENT-2-ENYL) METHANOL, (1R,4R)-TRANS-
Systematic Name English
TRANS-ABACAVIR
Common Name English
(1R,4R)-TRANS-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)CYCLOPENT-2-ENYL) METHANOL
Common Name English
Code System Code Type Description
FDA UNII
6BVN3YCO99
Created by admin on Sat Dec 16 09:42:22 GMT 2023 , Edited by admin on Sat Dec 16 09:42:22 GMT 2023
PRIMARY
PUBCHEM
10660866
Created by admin on Sat Dec 16 09:42:22 GMT 2023 , Edited by admin on Sat Dec 16 09:42:22 GMT 2023
PRIMARY
CAS
1443421-67-7
Created by admin on Sat Dec 16 09:42:22 GMT 2023 , Edited by admin on Sat Dec 16 09:42:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP