QUINETHAZONE


Trade Names	HYDROMOX
Synonyms	Chinethazone Hydromox NSC-759904 Quinethazone
Status
Molecule Category	Free-form
ATC	C03BA02
UNII	455E0S048W
EPA CompTox	DTXSID9023548


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	AGMMTXLNIQSRCG-UHFFFAOYSA-N
Smiles	CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1
InChI	InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H12ClN3O3S
Molecular Weight	289.74
AlogP	0.88
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	101.29
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	18.0

Pharmacology

Mechanism of Action	Action	Reference
Thiazide-sensitive sodium-chloride cotransporter inhibitor	INHIBITOR	DOI

Related Entries

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Cross References

Resources	Reference
ChEBI	8717
ChEMBL	CHEMBL1532
DrugBank	DB01325
DrugCentral	2343
FDA SRS	455E0S048W
Human Metabolome Database	HMDB0015420
Guide to Pharmacology	7289
KEGG	C07342
PharmGKB	PA164760863
PubChem	6307
SureChEMBL	SCHEMBL301310
ZINC	ZINC00896838

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).