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Details

Stereochemistry EPIMERIC
Molecular Formula C27H29FN6O11
Molecular Weight 632.5512
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-GLUCURONIDE R-529

SMILES

COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=JWURLJIMAQXVFK-VAIUHDHXSA-N
InChI=1S/C27H29FN6O11/c1-27(2)25(40)33-22-12(45-27)5-6-15(32-22)31-21-11(28)9-29-26(34-21)30-10-7-13(41-3)19(14(8-10)42-4)43-24-18(37)16(35)17(36)20(44-24)23(38)39/h5-9,16-18,20,24,35-37H,1-4H3,(H,38,39)(H3,29,30,31,32,33,34,40)/t16-,17-,18+,20-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
O-GLUCURONIDE R-529
Code English
GLUCURONIDE R529
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((4-((3,4-DIHYDRO-2,2-DIMETHYL-3-OXO-2H-PYRIDO(3,2-B)-1,4-OXAZIN-6-YL)AMINO)-5-FLUORO-2-PYRIMIDINYL)AMINO)-2,6-DIMETHOXYPHENYL
Systematic Name English
4-((4-((3,4-DIHYDRO-2,2-DIMETHYL-3-OXO-2H-PYRIDO(3,2-B)-1,4-OXAZIN-6-YL)AMINO)-5-FLUORO-2-PYRIMIDINYL)AMINO)-2,6-DIMETHOXYPHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
M633
Common Name English
Code System Code Type Description
CAS
1293999-45-7
Created by admin on Thu Jul 06 21:39:23 UTC 2023 , Edited by admin on Thu Jul 06 21:39:23 UTC 2023
PRIMARY
PUBCHEM
146675084
Created by admin on Thu Jul 06 21:39:23 UTC 2023 , Edited by admin on Thu Jul 06 21:39:23 UTC 2023
PRIMARY
FDA UNII
37YV3YP3TP
Created by admin on Thu Jul 06 21:39:23 UTC 2023 , Edited by admin on Thu Jul 06 21:39:23 UTC 2023
PRIMARY