UCSF

ZINC00601254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 Yes

Popular Name: Metolazone Metolazone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17560-51-9 , [17560-51-9]

Other Names:

17560-51-9

17560-51-9; D00431; Metolazone (JAN/USP/INN); Zaroxolyn (TN)

17560-51-9; Metolazone; Prestwick_333

2-Methyl-3-o-tolyl-6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone

2-Methyl-3-o-tolyl-6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone; 6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-2-methyl-4-oxo-3-o-tolyl-; 6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-2-methyl-3-(2-methylphenyl)-4-oxo-; 6-Quinazo

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

5-25-09-00212 (Beilstein Handbook Reference)

6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-2-methyl-4-oxo-3-o-tolyl-

6-Quinazolinesulfonamide, 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-

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

7-Chloro-2-methyl-4-oxo-3-(o-tolyl)-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

AB00052055

AC1L1HKJ

BAN

BPBio1_000138

BRD-A61793559-001-05-7

BRN 0965506

BSPBio_000124

BSPBio_002422

CHEBI:6903

CHEMBL878

CID4170

D00431

DAP000749

DB00524

Diulo

DivK1c_000275

EINECS 241-539-3

FDA

HMS1568G06

HMS1922L16

HMS2093P14

HMS500N17

HSDB 3367

IDI1_000275

INN

JAN

KBio1_000275

KBio2_000936

KBio2_003504

KBio2_006072

KBioGR_000897

KBioSS_000936

LS-140226

M1195_SIGMA

Metalazone

Metalozone

Metenix

Metolazona

Metolazona [INN-Spanish]

Metolazona [INN-Spanish]; Metolazonum [INN-Latin]

Metolazona [INN-Spanish];Metolazonum [INN-Latin]

metolazona; metolazone; metolazonum

Metolazone (BAN

Metolazone (FDA

Metolazone (JAN/USP/INN)

Metolazone (Zaroxolyn)

Metolazone [USAN:BAN:INN:JAN]

Metolazonum

Metolazonum [INN-Latin]

MFCD00069304

Microx

MLS002153316

MLS002154200

MolPort-003-666-780

Mykrox

Mykrox, Zaroxolyn, Diulo

Mykrox, Zaroxolyn, Diulo, Metolazone

NA

NCGC00093985-01

NCGC00093985-02

NCGC00093985-03

NCGC00093985-04

NCGC00093985-05

NCGC00093985-06

NCGC00093985-08

NINDS_000275

Oldren

Prestwick0_000112

Prestwick1_000112

Prestwick2_000112

Prestwick3_000112

Prestwick_333

S1610_Selleck

SMR001230730

SPBio_001842

SPBio_002063

SPECTRUM2300325

Spectrum2_001741

Spectrum4_000229

Spectrum5_001237

Spectrum_000456

SR 720-22

SR-720-22

UNII-TZ7V40X7VX

USAN

USP)

Xuret

Zaroxolyn

Zaroxolyn (TN)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 3.79 -17.4 3 6 0 93 365.842 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 255-257° Oakwood Chemical
ALOGPS_SOLUBILITY 4.07e-02 g/l DrugBank-approved
Purity 95% Fluorochem
Therapy diuretic, antihypertensive SMDC Iconix
PUBCHEM_PATENT_ID EP0124027A1; EP0401384A1; EP0401384B1; EP0996150A1; US4396616; US4440494; US4517179; US5185589; US5192921; US5223269; US5327105; US5355095; US5411665; US5449953; US5496469; US5633240; US5668134; US5684009; US5770559; US5814623; US5824778; US5981474; US616 IBM Patent Data
Target Others Selleck Chemicals

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )