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Iso Furosemide

CAT: 0572-TRC-I818500-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I818500-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4818-59-1
Synonyms
Furosemide Imp. A (EP); Furosemide USP Related Compound A; Furosemide USP RC A; 2-Chloro-4-[(furan-2-ylmethyl)-amino]-5-sulphamoylbenzoic Acid; Furosemide Related Compound A; Furosemide Impurity A
Hazard Statement
Suspected of damaging fertility or the unborn child
Smiles
NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1NCc2occc2
Molecular Formula
C12 H11 Cl N2 O5 S
Molecular Weight
330.74
InChI
InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)11(21(14,18)19)4-8(9)12(16)17/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
Additionnal Information
IUPAC name: 2-chloro-4-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Isofurosemide
CAS Number4818-59-1
PubChem CID58344442
IUPAC Name2-chloro-4-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
Molecular FormulaC12H11ClN2O5S
Molecular Weight330.74
XLogP2
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity481
SMILES
C1=COC(=C1)CNC2=C(C=C(C(=C2)Cl)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)11(21(14,18)19)4-8(9)12(16)17/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
InChIKey
UXOOVYKVEXGCSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isofurosemide
CAS: 4818-59-1
CID: 58344442
Formula: C12H11ClN2O5S
MW: 330.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.74
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass330.0077203
Monoisotopic Mass330.0077203
Topological Polar Surface Area131 Ų
Heavy Atom Count21
Formal Charge0
Complexity481
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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