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Details

Stereochemistry RACEMIC
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, TRANS-, (±)-

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

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
139594
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, TRANS-, (±)-
Common Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1R,4R)-REL-
Common Name English
TRANS-ABACAVIR, (±)-
Common Name English
Code System Code Type Description
PUBCHEM
10660866
Created by admin on Sat Dec 16 07:23:27 GMT 2023 , Edited by admin on Sat Dec 16 07:23:27 GMT 2023
PRIMARY
FDA UNII
0903H757IU
Created by admin on Sat Dec 16 07:23:27 GMT 2023 , Edited by admin on Sat Dec 16 07:23:27 GMT 2023
PRIMARY
CAS
783292-37-5
Created by admin on Sat Dec 16 07:23:27 GMT 2023 , Edited by admin on Sat Dec 16 07:23:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID90228998
Created by admin on Sat Dec 16 07:23:27 GMT 2023 , Edited by admin on Sat Dec 16 07:23:27 GMT 2023
PRIMARY
NIH
NCATS
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