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Azosemide

CAT: 0572-TRC-A965145-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A965145-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
27589-33-9
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
NS(=O)(=O)c1cc(c(NCc2cccs2)cc1Cl)c3nnn[nH]3
Molecular Formula
C12 H11 Cl N6 O2 S2
Molecular Weight
370.84
InChI
InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)
Additionnal Information
IUPAC name: 2-chloro-5-(1H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Azosemide

Azosemide is a sulfonamide that is benzenesulfonamide which is substituted at positions 2, 4, and 5 by chlorine, (2-thienylmethyl)amino and 1H-tetrazol-5-yl groups, respectively. It is a diuretic that has been used in the management of oedema and hypertension. It has a role as a loop diuretic. It is a member of thiophenes, a sulfonamide, a member of tetrazoles and a member of monochlorobenzenes.

CAS Number27589-33-9
PubChem CID2273
IUPAC Name2-chloro-5-(2H-tetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
Molecular FormulaC12H11ClN6O2S2
Molecular Weight370.8
XLogP1.5
Topological Polar Surface Area163
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity504
SMILES
C1=CSC(=C1)CNC2=CC(=C(C=C2C3=NNN=N3)S(=O)(=O)N)Cl
InChI
InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)
InChIKey
HMEDEBAJARCKCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azosemide
CAS: 27589-33-9
CID: 2273
Formula: C12H11ClN6O2S2
MW: 370.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.8
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass370.0073437
Monoisotopic Mass370.0073437
Topological Polar Surface Area163 Ų
Heavy Atom Count23
Formal Charge0
Complexity504
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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