Piretanide | CAS No. 55837-27-9

Piretanide

Basic Information

CAS Number

55837-27-9

Molecular Formula

C17H18N2O5S

Molecular Weight

362.41 g/mol

AD

Basic Physical Properties

Melting Point

225-227°

Boiling Point

597.676°C at 760 mmHg

Density

1.3049 (rough estimate)

Refractive Index

1.6510 (estimate)

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

InChI

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

LogP

2.4247000000000005

Topological Polar Surface Area

109.93000000000002 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

564

Safety Information

View Safety Information

Toxicity

LD50 in rats, mice (mg/kg): 5601, 3672 orally (Merkel)

Synonyms & References

English

  • CAS-55837-27-9
  • Piretanide [USAN:INN:BAN:JAN]
  • NCGC00016878-04
  • HY-119816
  • CHEMBL349803
  • SCHEMBL49473
  • 3-(Aminosulfonyl)-4-phenoxy-5-(1-pyrrolidinyl)-benzoic acid
  • NCGC00016878-02
  • S 734118
  • HMS2230G15
  • Benzoic acid, 3-(aminosulfonyl)-4-phenoxy-5-(1-pyrrolidinyl)-
  • Prestwick1_001047
  • SPBio_002907
  • Piretanido
  • Hoe-118
  • SR-01000838837
  • HMS2098A16
  • PIRETANIDE [WHO-DD]
  • Tauliz-d4
  • PIRETANIDE [USAN]
  • 55837-27-9
  • 4-phenoxy-3-(pyrrolidinyl)-5-sulfamoylbenzoic acid
  • AB00514020
  • PIRETANIDE [JAN]
  • Piretanide (JAN/USAN/INN)
  • DTXSID2023488
  • 2-Methyl-2-propylpropane-1,3-diyl dicarbamate
  • MS-25753
  • A924106
  • CHEBI:32015
  • UJEWTUDSLQGTOA-UHFFFAOYSA-N

MDL Number

MFCD00867334

Customs Code

2935009090

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