PIRETANIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C03CA03
UNII: DQ6KK6GV93

Structure
InChI Key UJEWTUDSLQGTOA-UHFFFAOYSA-N
Smile NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N2O5S
Molecular Weight 362.41
AlogP 2.42
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 109.93
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32015
ChEMBL CHEMBL349803
DrugBank DB02925
DrugCentral 2201
EPA CompTox DTXSID2023488
FDA SRS DQ6KK6GV93
Guide to Pharmacology 4742
PubChem 4849
SureChEMBL SCHEMBL49473
ZINC ZINC000003812930
CONTENTS