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CGI-17341

CAT: 0931-T26990-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26990-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127692-13-1
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
CGI-17341 is an orally active representative of the 5-nitroimidazole series of antimicrobial agents. CGI 17341 inhibits the drug-susceptible and multi-drug-resistant strains of Mycobacterium tuberculosis at concentrations ranging from 0.1 to 0.3 micrograms/ml.
Smiles
N(=O)(=O)C=1N=C2N(C1)CC(CC)O2
Molecular Formula
C7H9N3O3
Molecular Weight
183.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Ethyl-5-nitro-2,3-dihydro(2-1b)imidazo-oxazole

structure given in first source

CAS Number127692-13-1
PubChem CID72494
IUPAC Name2-ethyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Molecular FormulaC7H9N3O3
Molecular Weight183.16
XLogP1.1
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity218
SMILES
CCC1CN2C=C(N=C2O1)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O3/c1-2-5-3-9-4-6(10(11)12)8-7(9)13-5/h4-5H,2-3H2,1H3
InChIKey
AEKVVFWCBKEYSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-5-nitro-2,3-dihydro(2-1b)imidazo-oxazole
CAS: 127692-13-1
CID: 72494
Formula: C7H9N3O3
MW: 183.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.16
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass183.06439116
Monoisotopic Mass183.06439116
Topological Polar Surface Area72.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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