55837-27-9

Name Piretanide
CAS 55837-27-9
EINECS(EC#) 259-852-9
Molecular Formula C17H18N2O5S
MDL Number MFCD00867334
Molecular Weight 362.4
MOL File 55837-27-9.mol
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Chemical Properties

Melting point  225-227°
Boiling point  253°C (rough estimate)
density  1.3049 (rough estimate)
refractive index  1.6510 (estimate)
storage temp.  2-8°C
solubility  Very slightly soluble in water, sparingly soluble in anhydrous ethanol. It shows polymorphism (5.9).
form  neat
pka 10.22±0.60(Predicted)
color  Pale-yellow platelets from MeOH (aq)
Major Application pharmaceutical (small molecule)
InChI 1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)
InChIKey UJEWTUDSLQGTOA-UHFFFAOYSA-N
SMILES [S](=O)(=O)(N)c1c(c(cc(c1)C(=O)O)N3CCCC3)Oc2ccccc2
CAS DataBase Reference 55837-27-9(CAS DataBase Reference)

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Toxicity
LD50 in rats, mice (mg/kg): 5601, 3672 orally (Merkel)

Hazard Information

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