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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H26FN7O7
Molecular Weight 591.5471
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GS-563129

SMILES

[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N([C@@H](CC)C2=NC3=C(C(F)=CC=C3)C(=O)N2C4=CC=CC=C4)C5=C6N=CNC6=NC=N5

InChI

InChIKey=CCSHXZQMYJWUPR-IZRJDDOCSA-N
InChI=1S/C28H26FN7O7/c1-2-16(24-34-15-10-6-9-14(29)17(15)26(40)35(24)13-7-4-3-5-8-13)36(25-18-23(31-11-30-18)32-12-33-25)27-21(39)19(37)20(38)22(43-27)28(41)42/h3-12,16,19-22,27,37-39H,2H2,1H3,(H,41,42)(H,30,31,32,33)/t16-,19-,20-,21+,22-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H26FN7O7
Molecular Weight 591.5471
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:59:16 GMT 2023
Edited
by admin
on Sat Dec 16 14:59:16 GMT 2023
Record UNII
8AY8QEH4JW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GS-563129
Code English
(2S,3S,4S,5R)-6-(((1S)-1-(5-FLUORO-4-OXO-3-PHENYL-QUINAZOLIN-2-YL)PROPYL)-(9H-PURIN-6-YL)AMINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
IDELALISIB METABOLITE M8A
Common Name English
Code System Code Type Description
PUBCHEM
156613592
Created by admin on Sat Dec 16 14:59:16 GMT 2023 , Edited by admin on Sat Dec 16 14:59:16 GMT 2023
PRIMARY
FDA UNII
8AY8QEH4JW
Created by admin on Sat Dec 16 14:59:16 GMT 2023 , Edited by admin on Sat Dec 16 14:59:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE