metolazone   Click here for help

GtoPdb Ligand ID: 4838

Synonyms: SR-720-22 | Zaroxolyn®
Approved drug
metolazone is an approved drug (FDA (1973))
Compound class: Synthetic organic
Comment: Metolazone is a quinazoline thiazide-like and sulfonamide diuretic.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 100.88
Molecular weight 365.06
XLogP 2.48
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N
Isomeric SMILES CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N
InChI InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1973))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2627 metolazone
Synonyms Click here for help
SR-720-22 | Zaroxolyn®
Database Links Click here for help
CAS Registry No. 17560-51-9 (source: Scifinder)
DrugBank Ligand DB00524
DrugCentral Ligand 1783
GtoPdb PubChem SID 178101540
PubChem CID 4170
Search Google for chemical match using the InChIKey AQCHWTWZEMGIFD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AQCHWTWZEMGIFD
Search PubMed clinical trials metolazone
Search PubMed titles metolazone
Search PubMed titles/abstracts metolazone
UniChem Compound Search for chemical match using the InChIKey AQCHWTWZEMGIFD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AQCHWTWZEMGIFD-UHFFFAOYSA-N
Wikipedia Metolazone