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Metolazone

CAT: 1596-AR-M01662-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01662-01Size:10 Units
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CAS Number
17560-51-9
Synonyms
7-Chloro-1,2,3,4-tetrahydro-2-methyl-3- (2-methylphenyl) -4-oxo-6-quinazolinesulfonamide; 2-Methyl-3- (o-tolyl) -6-sulfamyl-7-chloro-1,2,3,4-tetrahydro-4-quinazolinone; Diulo; Metenix; Metozalone; Mykrox; Normelan; Oldren; SR 720-22; Xuret; Zaroxolyn; Metolazone
Molecular Formula
C16H16ClN3O3S
Molecular Weight
365.84
API Name
Metolazone

Chemical Information

Metolazone

Metolazone is a quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics. It has a role as a diuretic, an antihypertensive agent and an ion transport inhibitor. It is a sulfonamide, an organochlorine compound and a member of quinazolines.

CAS Number17560-51-9
PubChem CID4170
IUPAC Name7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.8
XLogP4.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity594
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
Chemical Structure
2D Structure
2D structure of Metolazone
CAS: 17560-51-9
CID: 4170
Formula: C16H16ClN3O3S
MW: 365.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.8
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass365.0600902
Monoisotopic Mass365.0600902
Topological Polar Surface Area101 Ų
Heavy Atom Count24
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1975-50Metolazone
CS-O-06770Metolazone-d7
CS-T-88314Desmethyl Metolazone

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