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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28FN3O7
Molecular Weight 465.472
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBAMIC ACID, (4-(((4-FLUOROPHENYL)METHYL)AMINO)-2-(.BETA.-D-GLUCOPYRANOSYLAMINO)PHENYL)-, ETHYL ESTER

SMILES

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

InChI

InChIKey=QJZGGFBXRVPPEE-YMQHIKHWSA-N
InChI=1S/C22H28FN3O7/c1-2-32-22(31)26-15-8-7-14(24-10-12-3-5-13(23)6-4-12)9-16(15)25-21-20(30)19(29)18(28)17(11-27)33-21/h3-9,17-21,24-25,27-30H,2,10-11H2,1H3,(H,26,31)/t17-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28FN3O7
Molecular Weight 465.472
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 20:04:28 UTC 2023
Edited
by admin
on Thu Jul 06 20:04:28 UTC 2023
Record UNII
V5S8X9Q6WY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBAMIC ACID, (4-(((4-FLUOROPHENYL)METHYL)AMINO)-2-(.BETA.-D-GLUCOPYRANOSYLAMINO)PHENYL)-, ETHYL ESTER
Systematic Name English
ETHYL N-(4-((4-FLUOROPHENYL)METHYLAMINO)-2-(((3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL)AMINO)PHENYL)CARBAMATE
Systematic Name English
EZOGABINE METABOLITE M5
Common Name English
Code System Code Type Description
PUBCHEM
156028031
Created by admin on Thu Jul 06 20:04:28 UTC 2023 , Edited by admin on Thu Jul 06 20:04:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID301115037
Created by admin on Thu Jul 06 20:04:28 UTC 2023 , Edited by admin on Thu Jul 06 20:04:28 UTC 2023
PRIMARY
FDA UNII
V5S8X9Q6WY
Created by admin on Thu Jul 06 20:04:28 UTC 2023 , Edited by admin on Thu Jul 06 20:04:28 UTC 2023
PRIMARY
CAS
229970-69-8
Created by admin on Thu Jul 06 20:04:28 UTC 2023 , Edited by admin on Thu Jul 06 20:04:28 UTC 2023
PRIMARY
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