Abacavir

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Systematic / IUPAC Name: {(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol

ID: Reference7548

Other Names: Epzicom;
(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol;
{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol ;
{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl}methanol ;
{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl}methanol ; more

Formula: C14H18N6O

Class: Therapeutics/Prescription Drugs

Spectral Data

Abacavir mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 345
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/15/2018 2:19:16 PM
View Mass Spec Data > >

Identificators

InChI 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
InChI Key MCGSCOLBFJQGHM-SCZZXKLOSA-N
Canonical SMILES C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N
CAS
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Other Names Epzicom;
(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol;
{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol ;
{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl}methanol ;
{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl}methanol ;
{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl}methanol ;
{(1S,4R)-4-[2-Azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl}methanol ;
{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol;
2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)-

In Other Databases

Wikipedia Abacavir
ChemSpider 390063
DrugBank DB01048
PubChem 441300
HMDb HMDB15182
ChEBI CHEBI:421707
KEGG D07057; C07624
ChEMBL CHEMBL1380