1-(7-((1.ALPHA.,5.ALPHA.,6.ALPHA.)-6-AMINO-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE) .BETA.-D-GLUCOPYRANURONIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H23F3N4O9
Molecular Weight	592.4774
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(7-((1.ALPHA.,5.ALPHA.,6.ALPHA.)-6-AMINO-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE) .BETA.-D-GLUCOPYRANURONIC ACID

Structure Search

SMILES

[H][C@@]12CN(C[C@]1([H])[C@H]2N)C3=NC4=C(C=C3F)C(=O)C(=CN4C5=CC=C(F)C=C5F)C(=O)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O

InChI

InChIKey=GTZVGNAECYGIIQ-CEROTNOOSA-N

InChI=1S/C26H23F3N4O9/c27-8-1-2-15(13(28)3-8)33-7-12(25(40)42-26-20(37)18(35)19(36)21(41-26)24(38)39)17(34)9-4-14(29)23(31-22(9)33)32-5-10-11(6-32)16(10)30/h1-4,7,10-11,16,18-21,26,35-37H,5-6,30H2,(H,38,39)/t10-,11+,16+,18-,19-,20+,21-,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1-(7-((1.ALPHA.,5.ALPHA.,6.ALPHA.)-6-AMINO-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE) .BETA.-D-GLUCOPYRANURONIC ACID

Systematic Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-(7-((1.ALPHA.,5.ALPHA.,6.ALPHA.)-6-AMINO-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE)

Systematic Name

English

TROVAFLOXACIN METABOLITE M1

Common Name

English

Code System Code Type Description

FDA UNII

W6ZP02GIE4

Created by admin on Sat Dec 16 16:18:19 UTC 2023 , Edited by admin on Sat Dec 16 16:18:19 UTC 2023

PRIMARY

CAS

184584-38-1