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Furosemide EP Impurity F

CAT: 1596-AR-F02221-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F02221-01Size:50 Units
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CAS Number
4793-38-8
Synonyms
4-chloro-5-sulfamoyl-2- (((tetrahydrofuran-2-yl) methyl) amino) benzoicacid;4-Chloro-5-sulfamoyl-N- (tetrahydrofurfuryl) anthranilic Acid; Furosemide EP Impurity F; Tetrahydro Furosemide
Molecular Formula
C12H15ClN2O5S
Molecular Weight
334.78
API Name
Furosemide

Chemical Information

4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid
CAS Number4793-38-8
PubChem CID44432678
IUPAC Name4-chloro-2-(oxolan-2-ylmethylamino)-5-sulfamoylbenzoic acid
Molecular FormulaC12H15ClN2O5S
Molecular Weight334.78
XLogP1.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity481
SMILES
C1CC(OC1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
InChI
InChI=1S/C12H15ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h4-5,7,15H,1-3,6H2,(H,16,17)(H2,14,18,19)
InChIKey
CWQFVCNJRVCZFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid
CAS: 4793-38-8
CID: 44432678
Formula: C12H15ClN2O5S
MW: 334.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.78
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass334.0390205
Monoisotopic Mass334.0390205
Topological Polar Surface Area127 Ų
Heavy Atom Count21
Formal Charge0
Complexity481
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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