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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26N6O7
Molecular Weight 462.4572
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABACAVIR 5'-.BETA.-D-GLUCURONIDE

SMILES

C1=C[C@@]([H])(C[C@]1([H])CO[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)n3cnc4c(NC5CC5)[nH]c(=N)nc43

InChI

InChIKey=WGTDUQBKKUUVMK-OLMRCODSSA-N
InChI=1S/C20H26N6O7/c21-20-24-16(23-9-2-3-9)11-17(25-20)26(7-22-11)10-4-1-8(5-10)6-32-19-14(29)12(27)13(28)15(33-19)18(30)31/h1,4,7-10,12-15,19,27-29H,2-3,5-6H2,(H,30,31)(H3,21,23,24,25)/t8-,10+,12+,13+,14-,15+,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H26N6O7
Molecular Weight 462.4572
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:56:40 UTC 2021
Edited
by admin
on Sat Jun 26 00:56:40 UTC 2021
Record UNII
2630IZQ0I0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABACAVIR 5'-.BETA.-D-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, ((1S,4R)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-2-CYCLOPENTEN-1-YL)METHYL
Systematic Name English
((1S,4R)-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-2-CYCLOPENTEN-1-YL)METHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
361W94
Common Name English
Code System Code Type Description
CAS
384329-76-4
Created by admin on Sat Jun 26 00:56:40 UTC 2021 , Edited by admin on Sat Jun 26 00:56:40 UTC 2021
PRIMARY
PUBCHEM
29969962
Created by admin on Sat Jun 26 00:56:40 UTC 2021 , Edited by admin on Sat Jun 26 00:56:40 UTC 2021
PRIMARY
FDA UNII
2630IZQ0I0
Created by admin on Sat Jun 26 00:56:40 UTC 2021 , Edited by admin on Sat Jun 26 00:56:40 UTC 2021
PRIMARY
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