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Details

Stereochemistry EPIMERIC
Molecular Formula C27H29FN6O11
Molecular Weight 632.5522
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

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

SMILES

CC1(C)C(=Nc2c(ccc(=Nc3c(cnc(Nc4cc(c(c(c4)OC)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O)OC)n3)F)[nH]2)O1)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

Molecular Formula C27H29FN6O11
Molecular Weight 632.5522
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 10:01:10 UTC 2021
Edited
by admin
on Sat Jun 26 10:01:10 UTC 2021
Record UNII
37YV3YP3TP
Record Status Validated (UNII)
Record Version
  • Download
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 Sat Jun 26 10:01:10 UTC 2021 , Edited by admin on Sat Jun 26 10:01:10 UTC 2021
PRIMARY
PUBCHEM
146675084
Created by admin on Sat Jun 26 10:01:10 UTC 2021 , Edited by admin on Sat Jun 26 10:01:10 UTC 2021
PRIMARY
FDA UNII
37YV3YP3TP
Created by admin on Sat Jun 26 10:01:10 UTC 2021 , Edited by admin on Sat Jun 26 10:01:10 UTC 2021
PRIMARY
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