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Antituberculosis agent-8

CAT: 0013-GTR19212901-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212901-01Size:25 mg
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Description
Antituberculosis agent-8 is a small molecule with dual antimicrobial activity, exhibiting potent inhibition of Mycobacterium tuberculosis H37Rv (MIC 3.53 μM) and the fungus Aspergillus niger (MIC 62.50 μM) . This compound serves as a valuable research tool for investigating novel anti-infective strategies in microbiology and pharmacology, applicable in both in vitro and in vivo experimental models.
CAS Number
2874263-74-6
Field of Research
Infectious Disease & Virology
Smiles
O (CC=1C=CC (F) =NC1) C2 (COC2) C3=C (OC4=CC5=C (N=C4C) C (F) =CC=C5) C=CC=C3F
Molecular Formula
C25H19F3N2O3
Molecular Weight
452.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antituberculosis agent-8
CAS Number2874263-74-6
PubChem CID166642473
IUPAC Name8-fluoro-3-[3-fluoro-2-[3-[(6-fluoro-3-pyridinyl)methoxy]oxetan-3-yl]phenoxy]-2-methylquinoline
Molecular FormulaC25H19F3N2O3
Molecular Weight452.4
XLogP4.3
Topological Polar Surface Area53.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity654
SMILES
CC1=C(C=C2C=CC=C(C2=N1)F)OC3=C(C(=CC=C3)F)C4(COC4)OCC5=CN=C(C=C5)F
InChI
InChI=1S/C25H19F3N2O3/c1-15-21(10-17-4-2-6-19(27)24(17)30-15)33-20-7-3-5-18(26)23(20)25(13-31-14-25)32-12-16-8-9-22(28)29-11-16/h2-11H,12-14H2,1H3
InChIKey
RJZWMLJLHAAMJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antituberculosis agent-8
CAS: 2874263-74-6
CID: 166642473
Formula: C25H19F3N2O3
MW: 452.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass452.13477696
Monoisotopic Mass452.13477696
Topological Polar Surface Area53.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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