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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H31FN6O11
Molecular Weight 646.5788
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-GLUCURONIDE R-406

SMILES

CC1(C)C(=O)N(c2c(ccc(=Nc3c(cnc(Nc4cc(c(c(c4)OC)OC)OC)n3)F)[nH]2)O1)[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O

InChI

InChIKey=CATCJHZEXNDJNV-HMUJTRMMSA-N
InChI=1S/C28H31FN6O11/c1-28(2)26(41)35(24-19(38)17(36)18(37)21(45-24)25(39)40)23-13(46-28)6-7-16(33-23)32-22-12(29)10-30-27(34-22)31-11-8-14(42-3)20(44-5)15(9-11)43-4/h6-10,17-19,21,24,36-38H,1-5H3,(H,39,40)(H2,30,31,32,33,34)/t17-,18-,19+,21-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H31FN6O11
Molecular Weight 646.5788
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 15:12:55 UTC 2021
Edited
by admin
on Sat Jun 26 15:12:55 UTC 2021
Record UNII
ZP3U7X9EAM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-GLUCURONIDE R-406
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(6-((5-FLUORO-2-((3,4,5-TRIMETHOXYPHENYL)AMINO)-4-PYRIMIDINYL)AMINO)-2,3-DIHYDRO-2,2-DIMETHYL-3-OXO-4H-PYRIDO(3,2-B)-1,4-OXAZIN-4-YL)-
Systematic Name English
M647
Common Name English
N-GLUCURONIDE R406
Common Name English
1-DEOXY-1-(6-((5-FLUORO-2-((3,4,5-TRIMETHOXYPHENYL)AMINO)-4-PYRIMIDINYL)AMINO)-2,3-DIHYDRO-2,2-DIMETHYL-3-OXO-4H-PYRIDO(3,2-B)-1,4-OXAZIN-4-YL)-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
146675086
Created by admin on Sat Jun 26 15:12:55 UTC 2021 , Edited by admin on Sat Jun 26 15:12:55 UTC 2021
PRIMARY
CAS
1293999-42-4
Created by admin on Sat Jun 26 15:12:55 UTC 2021 , Edited by admin on Sat Jun 26 15:12:55 UTC 2021
PRIMARY
FDA UNII
ZP3U7X9EAM
Created by admin on Sat Jun 26 15:12:55 UTC 2021 , Edited by admin on Sat Jun 26 15:12:55 UTC 2021
PRIMARY
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