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.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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)
InChI Key AQCHWTWZEMGIFD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1973))
IUPAC Name Click here for help
7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
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)
ChEMBL Ligand CHEMBL878
DrugBank Ligand DB00524
DrugCentral Ligand 1783
GtoPdb PubChem SID 178101540
PubChem CID 4170
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Wikipedia Metolazone