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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H16N6O2
Molecular Weight 300.3164
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABACAVIR 5'-CARBOXYLATE

SMILES

C1=C[C@@]([H])(C[C@]1([H])C(=O)O)n2cnc3c(NC4CC4)[nH]c(=N)nc32

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

Molecular Formula C14H16N6O2
Molecular Weight 300.3164
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:52:34 UTC 2021
Edited
by admin
on Sat Jun 26 06:52:34 UTC 2021
Record UNII
FO2D75G53I
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 06:52:34 UTC 2021 , Edited by admin on Sat Jun 26 06:52:34 UTC 2021
PRIMARY
EPA CompTox
384380-52-3
Created by admin on Sat Jun 26 06:52:34 UTC 2021 , Edited by admin on Sat Jun 26 06:52:34 UTC 2021
PRIMARY
PUBCHEM
56927907
Created by admin on Sat Jun 26 06:52:34 UTC 2021 , Edited by admin on Sat Jun 26 06:52:34 UTC 2021
PRIMARY
CAS
384380-52-3
Created by admin on Sat Jun 26 06:52:34 UTC 2021 , Edited by admin on Sat Jun 26 06:52:34 UTC 2021
PRIMARY
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