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Metolazone

CAT: 0957-S1610-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S1610-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17560-51-9
Synonyms
SR 720-22
Target
Others
Applications
Others
Smiles
CC1NC2=CC (=C (C=C2C (=O) N1C3=CC=CC=C3C) S (=O) (=O) N) Cl
Molecular Formula
C16H16ClN3O3S
Additionnal Information
Metolazone (SR 720-22) is a diuretic that primarily used to treat congestive heart failure and high blood pressure.
Storage Conditions
2 years -80 in solvent

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
Loading 3D structure...
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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