1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(6-(SULFOAMINO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-, (1.ALPHA.,5.ALPHA.,6.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H15F3N4O6S
Molecular Weight	496.417
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(6-(SULFOAMINO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-, (1.ALPHA.,5.ALPHA.,6.ALPHA.)-

Structure Search

SMILES

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

InChI

InChIKey=IMGYTWGUCDUHMM-CDMJZVDBSA-N

InChI=1S/C20H15F3N4O6S/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(24-18(9)27)26-5-10-11(6-26)16(10)25-34(31,32)33/h1-4,7,10-11,16,25H,5-6H2,(H,29,30)(H,31,32,33)/t10-,11+,16+

HIDE SMILES / InChI

Molecular Formula	C20H15F3N4O6S
Molecular Weight	496.417
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:10:26 GMT 2023` Edited by `admin` on `Sat Dec 16 16:10:26 GMT 2023`
Record UNII	ZSF5QT8XJI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(6-(SULFOAMINO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-, (1.ALPHA.,5.ALPHA.,6.ALPHA.)-

Systematic Name

English

TROVAFLOXACIN METABOLITE M4

Common Name

English

Code System Code Type Description

FDA UNII

ZSF5QT8XJI

Created by admin on Sat Dec 16 16:10:26 GMT 2023 , Edited by admin on Sat Dec 16 16:10:26 GMT 2023

PRIMARY

CAS

184584-41-6

Created by admin on Sat Dec 16 16:10:26 GMT 2023 , Edited by admin on Sat Dec 16 16:10:26 GMT 2023

PRIMARY

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