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

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

Structure Search

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 `Sat Dec 16 15:08:54 GMT 2023` Edited by `admin` on `Sat Dec 16 15:08:54 GMT 2023`
Record UNII	F94Z2VM88Q
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 15:08:54 GMT 2023 , Edited by admin on Sat Dec 16 15:08:54 GMT 2023

PRIMARY

FDA UNII

F94Z2VM88Q

Created by admin on Sat Dec 16 15:08:54 GMT 2023 , Edited by admin on Sat Dec 16 15:08:54 GMT 2023

PRIMARY

Related Record Type Details


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EZOGABINE

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Amount: