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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H25F3N4O10
Molecular Weight	634.5141
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

[H][C@@]12CN(C[C@]1([H])[C@H]2NC(C)=O)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=SAAXCVQLBCIWJA-SVYUQWBHSA-N

InChI=1S/C28H25F3N4O10/c1-9(36)32-18-12-6-34(7-13(12)18)25-16(31)5-11-19(37)14(8-35(24(11)33-25)17-3-2-10(29)4-15(17)30)27(43)45-28-22(40)20(38)21(39)23(44-28)26(41)42/h2-5,8,12-13,18,20-23,28,38-40H,6-7H2,1H3,(H,32,36)(H,41,42)/t12-,13+,18+,20-,21-,22+,23-,28-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-D-GLUCOPYRANURONIC ACID, 1-(7-((1.ALPHA.,5.ALPHA.,6.ALPHA.)-6-(ACETYLAMINO)-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 M2

Common Name

English

Code System Code Type Description

CAS

184584-39-2

Created by admin on Sat Dec 16 16:53:55 GMT 2023 , Edited by admin on Sat Dec 16 16:53:55 GMT 2023

PRIMARY

FDA UNII

YOB1K46GU2