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Alpibectir

CAT: 0931-T60993-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T60993-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2285440-39-1
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Alpibectir has antibacterial activity [1].
Smiles
C(F)(F)(F)C=1CC2(ON1)CCN(C(CCC(F)(F)F)=O)CC2
Molecular Formula
C12H14F6N2O2
Molecular Weight
332.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alpibectir

Alpibectir is a small molecule drug. Alpibectir is under investigation in clinical trial NCT06748937 (A Study of the Early Effects, Safety, and Acceptability of Oral Alpibectir in Combination With Ethionamide). Alpibectir has a monoisotopic molecular weight of 332.1 Da.

CAS Number2285440-39-1
PubChem CID137500045
IUPAC Name4,4,4-trifluoro-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one
Molecular FormulaC12H14F6N2O2
Molecular Weight332.24
XLogP2.5
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity463
SMILES
C1CN(CCC12CC(=NO2)C(F)(F)F)C(=O)CCC(F)(F)F
InChI
InChI=1S/C12H14F6N2O2/c13-11(14,15)2-1-9(21)20-5-3-10(4-6-20)7-8(19-22-10)12(16,17)18/h1-7H2
InChIKey
ZEAVKHMQTZBUND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alpibectir
CAS: 2285440-39-1
CID: 137500045
Formula: C12H14F6N2O2
MW: 332.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.24
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass332.09594667
Monoisotopic Mass332.09594667
Topological Polar Surface Area41.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity463
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

Alternative Products

CatalogName
BA1400-10Alpibectir

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