U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18ClF2N3O3
Molecular Weight 409.814
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITAFLOXACIN ANHYDROUS

SMILES

N[C@@H]1CN(CC12CC2)C3=C(Cl)C4=C(C=C3F)C(=O)C(=CN4[C@@H]5C[C@@H]5F)C(O)=O

InChI

InChIKey=PNUZDKCDAWUEGK-CYZMBNFOSA-N
InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1

HIDE SMILES / InChI
Molecular Formula C19H18ClF2N3O3
Molecular Weight 409.814
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 16:18:44 UTC 2023
Edited
by admin
on Fri Dec 15 16:18:44 UTC 2023
Record UNII
3GJC60U4Q8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SITAFLOXACIN ANHYDROUS
Common Name English
Sitafloxacin [WHO-DD]
Common Name English
SITAFLOXACIN [MI]
Common Name English
sitafloxacin [INN]
Common Name English
Classification Tree Code System Code
WHO-ATC J01MA21
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
NCI_THESAURUS C795
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID5048847
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
PRIMARY
FDA UNII
3GJC60U4Q8
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
PRIMARY
PUBCHEM
461399
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
PRIMARY
CAS
127254-12-0
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
PRIMARY
MERCK INDEX
m9959
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C76923
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
PRIMARY
INN
7479
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
PRIMARY
EVMPD
SUB10539MIG
Created by admin on Fri Dec 15 16:18:44 UTC 2023 , Edited by admin on Fri Dec 15 16:18:44 UTC 2023
PRIMARY
Related Record Type Details
Structure of SITAFLOXACIN MONOHYDRATE
SALT/SOLVATE -> PARENT
ENTEROCOCCUS FAECALIS
TARGET ORGANISM->INHIBITOR
Structure of SITAFLOXACIN
SOLVATE->ANHYDROUS
MORAXELLA CATARRHALIS
TARGET ORGANISM->INHIBITOR
Structure of SITAFLOXACIN
SALT/SOLVATE -> PARENT
HAEMOPHILUS INFLUENZAE
TARGET ORGANISM->INHIBITOR
STREPTOCOCCUS PNEUMONIAE
TARGET ORGANISM->INHIBITOR
STREPTOCOCCUS PYOGENES
TARGET ORGANISM->INHIBITOR
ESCHERICHIA COLI
TARGET ORGANISM->INHIBITOR
MYCOBACTERIUM ABSCESSUS
TARGET ORGANISM->INHIBITOR
LEGIONELLA PNEUMOPHILA
TARGET ORGANISM->INHIBITOR
MYCOPLASMA PNEUMONIAE
TARGET ORGANISM->INHIBITOR
PSEUDOMONAS AERUGINOSA
TARGET ORGANISM->INHIBITOR
STAPHYLOCOCCUS AUREUS
TARGET ORGANISM->INHIBITOR
Structure of SITAFLOXACIN MONOHYDRATE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of SITAFLOXACIN ANHYDROUS
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966