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TBI-223

CAT: 0607-BA1348-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1348-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2071265-08-0
Form
A solid
Molecular Formula
C17H20FN3O5
Molecular Weight
365.36
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Tbi-223

TBI-223 is under investigation in clinical trial NCT06192160 (Trial of Novel Regimens for the Treatment of Pulmonary Tuberculosis).

CAS Number2071265-08-0
PubChem CID126494519
IUPAC Namemethyl N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
Molecular FormulaC17H20FN3O5
Molecular Weight365.4
XLogP1
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity565
SMILES
COC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CC4(C3)COC4)F
InChI
InChI=1S/C17H20FN3O5/c1-24-15(22)19-5-12-6-21(16(23)26-12)11-2-3-14(13(18)4-11)20-7-17(8-20)9-25-10-17/h2-4,12H,5-10H2,1H3,(H,19,22)/t12-/m0/s1
InChIKey
ZNBRXLSWXJKKLJ-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Tbi-223
CAS: 2071265-08-0
CID: 126494519
Formula: C17H20FN3O5
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass365.13869891
Monoisotopic Mass365.13869891
Topological Polar Surface Area80.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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