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Antiparasitic agent-8

CAT: 0931-T61221-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61221-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2538594-33-9
Target
Parasite, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Antiparasitic agent-8 (Compound 9) exhibits potent antiparasitic activity against Hymenolepis nana, with low levels of cytotoxicity [1].
Smiles
O=C1N(C2=CC(F)=C(C=C2)N3CCOCC3)C[C@@]([C@@H](NC(C)=O)C)(O1)[H]
Molecular Formula
C17H22FN3O4
Molecular Weight
351.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antiparasitic agent-8
CAS Number2538594-33-9
PubChem CID164517065
IUPAC NameN-[(1S)-1-[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]ethyl]acetamide
Molecular FormulaC17H22FN3O4
Molecular Weight351.4
XLogP1.1
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity500
SMILES
C[C@@H]([C@@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F)NC(=O)C
InChI
InChI=1S/C17H22FN3O4/c1-11(19-12(2)22)16-10-21(17(23)25-16)13-3-4-15(14(18)9-13)20-5-7-24-8-6-20/h3-4,9,11,16H,5-8,10H2,1-2H3,(H,19,22)/t11-,16-/m0/s1
InChIKey
JYHNPBCGLZTGJX-ZBEGNZNMSA-N
Chemical Structure
2D Structure
2D structure of Antiparasitic agent-8
CAS: 2538594-33-9
CID: 164517065
Formula: C17H22FN3O4
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass351.15943435
Monoisotopic Mass351.15943435
Topological Polar Surface Area71.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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