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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H16N6O2
Molecular Weight 300.3158
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABACAVIR 5'-CARBOXYLATE

SMILES

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

InChI

InChIKey=OCSMNHMMTKMVCP-APPZFPTMSA-N
InChI=1S/C14H16N6O2/c15-14-18-11(17-8-2-3-8)10-12(19-14)20(6-16-10)9-4-1-7(5-9)13(21)22/h1,4,6-9H,2-3,5H2,(H,21,22)(H3,15,17,18,19)/t7-,9+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ABACAVIR 5'-CARBOXYLATE
Common Name English
ABACAVIR CARBOXYLATE
Common Name English
2269W93
Common Name English
2-CYCLOPENTENE-1-CARBOXYLIC ACID, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, (1S,4R)-
Systematic Name English
Code System Code Type Description
FDA UNII
FO2D75G53I
Created by admin on Sat Dec 16 11:17:42 GMT 2023 , Edited by admin on Sat Dec 16 11:17:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID40718879
Created by admin on Sat Dec 16 11:17:42 GMT 2023 , Edited by admin on Sat Dec 16 11:17:42 GMT 2023
PRIMARY
PUBCHEM
56927907
Created by admin on Sat Dec 16 11:17:42 GMT 2023 , Edited by admin on Sat Dec 16 11:17:42 GMT 2023
PRIMARY
CAS
384380-52-3
Created by admin on Sat Dec 16 11:17:42 GMT 2023 , Edited by admin on Sat Dec 16 11:17:42 GMT 2023
PRIMARY
CHEBI
64192
Created by admin on Sat Dec 16 11:17:42 GMT 2023 , Edited by admin on Sat Dec 16 11:17:42 GMT 2023
PRIMARY