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Details

Stereochemistry EPIMERIC
Molecular Formula C22H26FN3O8
Molecular Weight 479.4555
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R)-6-(2-(ETHOXYCARBONYLAMINO)-5-((4-FLUOROPHENYL)METHYLAMINO)ANILINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CCOC(=O)NC1=C(NC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(NCC3=CC=C(F)C=C3)C=C1

InChI

InChIKey=AVGRGNFEIQMATO-ZZTJXEITSA-N
InChI=1S/C22H26FN3O8/c1-2-33-22(32)26-14-8-7-13(24-10-11-3-5-12(23)6-4-11)9-15(14)25-20-18(29)16(27)17(28)19(34-20)21(30)31/h3-9,16-20,24-25,27-29H,2,10H2,1H3,(H,26,32)(H,30,31)/t16-,17-,18+,19-,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26FN3O8
Molecular Weight 479.4555
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:09:24 UTC 2023
Edited
by admin
on Thu Jul 06 20:09:24 UTC 2023
Record UNII
F7T7E2H22N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R)-6-(2-(ETHOXYCARBONYLAMINO)-5-((4-FLUOROPHENYL)METHYLAMINO)ANILINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-((2-((ETHOXYCARBONYL)AMINO)-5-(((4-FLUOROPHENYL)METHYL)AMINO)PHENYL)AMINO)-
Systematic Name English
RETIGABINE-N2-GLUCURONIDE
Common Name English
1-DEOXY-1-((2-((ETHOXYCARBONYL)AMINO)-5-(((4-FLUOROPHENYL)METHYL)AMINO)PHENYL)AMINO)-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
EZOGABINE METABOLITE M4
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20858368
Created by admin on Thu Jul 06 20:09:24 UTC 2023 , Edited by admin on Thu Jul 06 20:09:24 UTC 2023
PRIMARY
FDA UNII
F7T7E2H22N
Created by admin on Thu Jul 06 20:09:24 UTC 2023 , Edited by admin on Thu Jul 06 20:09:24 UTC 2023
PRIMARY
PUBCHEM
156596533
Created by admin on Thu Jul 06 20:09:24 UTC 2023 , Edited by admin on Thu Jul 06 20:09:24 UTC 2023
PRIMARY
CAS
191873-41-3
Created by admin on Thu Jul 06 20:09:24 UTC 2023 , Edited by admin on Thu Jul 06 20:09:24 UTC 2023
PRIMARY
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