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

Structure Search

SMILES

CC(=O)NC1=C(N)C=C(C=C1)N(CC2=CC=C(F)C=C2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=BMSUQJOIKORXDG-UHZRXMQZSA-N

InChI=1S/C21H24FN3O7/c1-10(26)24-15-7-6-13(8-14(15)23)25(9-11-2-4-12(22)5-3-11)20-18(29)16(27)17(28)19(32-20)21(30)31/h2-8,16-20,27-29H,9,23H2,1H3,(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 15:08:55 GMT 2023` Edited by `admin` on `Sat Dec 16 15:08:55 GMT 2023`
Record UNII	5BZS8S2VAE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Systematic Name

English

EZOGABINE METABOLITE M1

Common Name

English

Code System Code Type Description

FDA UNII

5BZS8S2VAE

Created by admin on Sat Dec 16 15:08:55 GMT 2023 , Edited by admin on Sat Dec 16 15:08:55 GMT 2023

PRIMARY

PUBCHEM

156613901

Created by admin on Sat Dec 16 15:08:55 GMT 2023 , Edited by admin on Sat Dec 16 15:08:55 GMT 2023

PRIMARY

Related Record Type Details


					12G01I6BBU

EZOGABINE

PARENT -> METABOLITE

Amount: