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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24FN3O7
Molecular Weight 449.4296
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

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

SMILES

CC(=O)NC1=C(N[C@@H]2O[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=CERBOJDBMLXUJL-UHZRXMQZSA-N
InChI=1S/C21H24FN3O7/c1-10(26)24-14-7-6-13(23-9-11-2-4-12(22)5-3-11)8-15(14)25-20-18(29)16(27)17(28)19(32-20)21(30)31/h2-8,16-20,23,25,27-29H,9H2,1H3,(H,24,26)(H,30,31)/t16-,17-,18+,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24FN3O7
Molecular Weight 449.4296
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 Thu Jul 06 20:42:44 UTC 2023
Edited
by admin
on Thu Jul 06 20:42:44 UTC 2023
Record UNII
F94Z2VM88Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R)-6-(2-ACETAMIDO-5-((4-FLUOROPHENYL)METHYLAMINO)ANILINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
EZOGABINE METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
156613880
Created by admin on Thu Jul 06 20:42:44 UTC 2023 , Edited by admin on Thu Jul 06 20:42:44 UTC 2023
PRIMARY
FDA UNII
F94Z2VM88Q
Created by admin on Thu Jul 06 20:42:44 UTC 2023 , Edited by admin on Thu Jul 06 20:42:44 UTC 2023
PRIMARY
Related Record Type Details
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