(2S,3S,4S,5R)-6-(2-(ETHOXYCARBONYLAMINO)-5-((4-FLUOROPHENYL)METHYLAMINO)ANILINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

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

Structure Search

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 `Sat Dec 16 14:34:23 GMT 2023` Edited by `admin` on `Sat Dec 16 14:34:23 GMT 2023`
Record UNII	F7T7E2H22N
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 14:34:23 GMT 2023 , Edited by admin on Sat Dec 16 14:34:23 GMT 2023

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FDA UNII

F7T7E2H22N

Created by admin on Sat Dec 16 14:34:23 GMT 2023 , Edited by admin on Sat Dec 16 14:34:23 GMT 2023

PRIMARY

PUBCHEM

156596533

Created by admin on Sat Dec 16 14:34:23 GMT 2023 , Edited by admin on Sat Dec 16 14:34:23 GMT 2023

PRIMARY

CAS

191873-41-3

Created by admin on Sat Dec 16 14:34:23 GMT 2023 , Edited by admin on Sat Dec 16 14:34:23 GMT 2023

PRIMARY

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