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Details

Stereochemistry ACHIRAL
Molecular Formula C20H15F3N4O3
Molecular Weight 416.3533
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TROVAFLOXACIN

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

InChI

InChIKey=WVPSKSLAZQPAKQ-CDMJZVDBSA-N
InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+

HIDE SMILES / InChI
Molecular Formula C20H15F3N4O3
Molecular Weight 416.3533
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:21:43 UTC 2023
Edited
by admin
on Fri Dec 15 16:21:43 UTC 2023
Record UNII
9F388J00UK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TROVAFLOXACIN
EMA EPAR   INN   MI   VANDF   WHO-DD  
INN  
Official Name English
7-((1R,5S,6S)-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-CARBOXYLIC ACID
Common Name English
TROVAFLOXACIN [MI]
Common Name English
TROVAFLOXACIN [EMA EPAR]
Common Name English
1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 7-(6-AMINO-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-(1.ALPHA.,5.ALPHA.,6.ALPHA.)-
Common Name English
CP-99219
Code English
trovafloxacin [INN]
Common Name English
TROVAFLOXACIN [VANDF]
Common Name English
Trovafloxacin [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC J01MA13
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
WHO-VATC QJ01MA13
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
NCI_THESAURUS C795
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
LIVERTOX NBK547840
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID0041145
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
DAILYMED
9F388J00UK
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
CHEBI
9763
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
CAS
147059-72-1
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
MERCK INDEX
m11237
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY Merck Index
EVMPD
SUB11350MIG
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
DRUG CENTRAL
2777
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
INN
7370
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
WIKIPEDIA
Trovafloxacin
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
SMS_ID
100000089214
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
MESH
C080163
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
RXCUI
115552
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY RxNorm
LACTMED
Trovafloxacin
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL428
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
NCI_THESAURUS
C66644
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
FDA UNII
9F388J00UK
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
DRUG BANK
DB00685
Created by admin on Fri Dec 15 16:21:43 UTC 2023 , Edited by admin on Fri Dec 15 16:21:43 UTC 2023
PRIMARY
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Structure of TROVAFLOXACIN HYDROCHLORIDE
SALT/SOLVATE -> PARENT
ENTEROCOCCUS FAECALIS
TARGET ORGANISM->INHIBITOR
Structure of TROVAFLOXACIN MESYLATE
SALT/SOLVATE -> PARENT
Structure of TROVAFLOXACIN
EXCRETED UNCHANGED
FECAL
OAT-2
TRANSPORTER -> INHIBITOR
IC50
STAPHYLOCOCCUS AUREUS
TARGET ORGANISM->INHIBITOR
STREPTOCOCCUS PNEUMONIAE
TARGET ORGANISM->INHIBITOR
KLEBSIELLA PNEUMONIAE
TARGET ORGANISM->INHIBITOR
Structure of TROVAFLOXACIN
EXCRETED UNCHANGED
URINE
HAEMOPHILUS INFLUENZAE
TARGET ORGANISM->INHIBITOR
STREPTOCOCCUS AGALACTIAE
TARGET ORGANISM->INHIBITOR
PROTEUS MIRABILIS
TARGET ORGANISM->INHIBITOR
PSEUDOMONAS AERUGINOSA
TARGET ORGANISM->INHIBITOR
Related Record Type Details
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)
METABOLITE -> PARENT
URINE
Structure of 1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 7-(6-(ACETYLAMINO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-, (1.ALPHA.,5.ALPHA.,6.ALPHA.)-
METABOLITE -> PARENT
URINE
Structure of 1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 7-(6-(ACETYLAMINO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-, (1.ALPHA.,5.ALPHA.,6.ALPHA.)-
METABOLITE -> PARENT
FECAL
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.)-
METABOLITE -> PARENT
FECAL
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
METABOLITE -> PARENT
URINE
Structure of ALATROFLOXACIN
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
Structure of TROVAFLOXACIN
ACTIVE MOIETY
NIH
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