General Information
Drug ID
DR01032
Drug Name
Metolazone
Synonyms
2-Methyl-3-o-tolyl-6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone; 7-Chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-6-quinazolinesulfonamide; 7-Chloro-1,2,3,4-tetrahydro-2-methyl-4-oxo-3-o-tolyl-6-quinazolinesulfonamide; 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide; Diulo; Metalazone; Metalozone; Metenix; Metolazona; Metolazona [INN-Spanish]; Metolazone (JAN/USP/INN); Metolazone [USAN:BAN:INN:JAN]; Metolazonum; Metolazonum [INN-Latin]; Microx; Mykrox; Mykrox (TN); Mykrox, Zaroxolyn, Diulo, Metolazone; Oldren; SR 720-22; SR-720-22; Xuret; Zaroxolyn; Zaroxolyn (TN)
Drug Type
Small molecular drug
Indication High blood pressure [ICD11:BA00] Approved [1]
Congestive heart failure [ICD11:BD10] Approved [1]
Therapeutic Class
Antihypertensive Agents
Structure
3D MOL 2D MOL
Formula
C16H16ClN3O3S
Canonical SMILES
CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl
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)
InChIKey
AQCHWTWZEMGIFD-UHFFFAOYSA-N
CAS Number
CAS 17560-51-9
Pharmaceutical Properties Molecular Weight 365.8 Topological Polar Surface Area 101
Heavy Atom Count 24 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
XLogP
4.1
PubChem CID
4170
PubChem SID
10321392 ,11335450 ,11360689 ,11363350 ,11365912 ,11368474 ,11374036 ,11376636 ,11461661 ,11466140 ,11467260 ,11485578 ,11485799 ,11489557 ,11492044 ,11494270 ,14926227 ,24724532 ,26613200 ,26680432 ,26747536 ,26747537 ,26753589 ,26753590 ,29223276 ,46509058 ,47365083 ,47365084 ,47588891 ,47736365 ,47736366 ,47885305 ,48259128 ,4904668 ,49698717 ,50041173 ,50106417 ,50106418 ,50267110 ,56413187 ,56463247 ,56463561 ,57322175 ,7847497 ,7979975 ,8150176 ,8152610 ,85087884 ,85787877 ,90341106
ChEBI ID
CHEBI:64354
TTD Drug ID
D01WLC
DT(s) Transporting This Drug NCC Transporter Info Thiazide-sensitive sodium-chloride cotransporter Substrate [2]
References
1 Metolazone was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Inhibition of binding of [3H]metolazone to rat kidney membrane by stilbene disulfonates. Biochem Pharmacol. 1991 Jun 1;41(11):1745-50.

If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.