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AHU1

CAT: 0931-T26579-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26579-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
216774-38-8
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
AHU1 is a blocker of Shiga Toxin expression in Escherichia coli O157:H7.
Smiles
O=C1C=CC(=O)N1C1=CC=C(C=C1)N1CCOCC1
Molecular Formula
C14H14N2O3
Molecular Weight
258.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[4-(4-Morpholinyl)phenyl]-1H-pyrrole-2,5-dione
CAS Number216774-38-8
PubChem CID699272
IUPAC Name1-(4-morpholin-4-ylphenyl)pyrrole-2,5-dione
Molecular FormulaC14H14N2O3
Molecular Weight258.27
XLogP0.8
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity375
SMILES
C1COCCN1C2=CC=C(C=C2)N3C(=O)C=CC3=O
InChI
InChI=1S/C14H14N2O3/c17-13-5-6-14(18)16(13)12-3-1-11(2-4-12)15-7-9-19-10-8-15/h1-6H,7-10H2
InChIKey
NNBAXWAPIROUSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(4-Morpholinyl)phenyl]-1H-pyrrole-2,5-dione
CAS: 216774-38-8
CID: 699272
Formula: C14H14N2O3
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass258.10044231
Monoisotopic Mass258.10044231
Topological Polar Surface Area49.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity375
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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