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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H19N6O4P
Molecular Weight 366.3122
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABACAVIR 5'-MONOPHOSPHATE

SMILES

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

InChI

InChIKey=YQBOXVWMECPEJS-SCZZXKLOSA-N
InChI=1S/C14H19N6O4P/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-24-25(21,22)23/h1,4,7-10H,2-3,5-6H2,(H2,21,22,23)(H3,15,17,18,19)/t8-,10+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ABACAVIR 5'-MONOPHOSPHATE
Common Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, DIHYDROGEN PHOSPHATE (ESTER), (1S,4R)-
Systematic Name English
2-CYCLOPENTENE-1-METHANOL, 4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-, DIHYDROGEN PHOSPHATE (ESTER), (1S-CIS)-
Systematic Name English
ABACAVIR 5'-PHOSPHATE
Common Name English
Code System Code Type Description
PUBCHEM
469588
Created by admin on Sat Dec 16 08:03:16 GMT 2023 , Edited by admin on Sat Dec 16 08:03:16 GMT 2023
PRIMARY
CHEBI
64112
Created by admin on Sat Dec 16 08:03:16 GMT 2023 , Edited by admin on Sat Dec 16 08:03:16 GMT 2023
PRIMARY
CAS
136470-77-4
Created by admin on Sat Dec 16 08:03:16 GMT 2023 , Edited by admin on Sat Dec 16 08:03:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID80332856
Created by admin on Sat Dec 16 08:03:16 GMT 2023 , Edited by admin on Sat Dec 16 08:03:16 GMT 2023
PRIMARY
FDA UNII
6I6AN9D95R
Created by admin on Sat Dec 16 08:03:16 GMT 2023 , Edited by admin on Sat Dec 16 08:03:16 GMT 2023
PRIMARY