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Furaltadone HCl

CAT: 0607-B1764-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B1764-100Size:100 mg
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Description
Antibacterial agent
CAS Number
3759-92-0
Product Name Alternative
5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride
Purity
0.9989
Form
A solid
Solubility
insoluble in EtOH; ≥12.4 mg/mL in DMSO with gentle warming; ≥34.35 mg/mL in H2O
Smiles
C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl
Molecular Formula
C13H16N4O6·HCl
Molecular Weight
360.75
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Furaltadone hydrochloride
CAS Number3759-92-0
PubChem CID9576185
IUPAC Name5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride
Molecular FormulaC13H17ClN4O6
Molecular Weight360.75
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity476
SMILES
C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-].Cl
InChI
InChI=1S/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H/b14-7+;
InChIKey
PPSVFZXMDMUIGB-FJUODKGNSA-N
Chemical Structure
2D Structure
2D structure of Furaltadone hydrochloride
CAS: 3759-92-0
CID: 9576185
Formula: C13H17ClN4O6
MW: 360.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.75
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass360.0836620
Monoisotopic Mass360.0836620
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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