Molecular Details

DICL_CP_0137584 - 6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0137584

PubChem CID

3639

Molecular Formula

C₇H₈ClN₃O₄S₂

Molecular Weight

296.964 g/mol

Synonyms/Alias

hydrochlorothiazide|58-93-5|HCTZ|Esidrix|Hidrotiazida|Hypothiazide|Idrotiazide|Megadiuril|Servithiazid|Newtolide|Vetidrex|Chlorosulthiadil|Esidrex|Oretic|Dichlotiazid|Dichlotride|Hydrochlorothiazid|Hy...hydrochlorothiazide|58-93-5|HCTZ|Esidrix|Hidrotiazida|Hypothiazide|Idrotiazide|Megadiuril|Servithiazid|Newtolide|Vetidrex|Chlorosulthiadil|Esidrex|Oretic|Dichlotiazid|Dichlotride|Hydrochlorothiazid|Hydrochlorthiazide|Hydrodiuretic|Hydrosaluric|Hypothiazid|Aquarills|Aquarius|Carozide|Diclotride|Disalunil|Maschitt|Thiuretic|Drenol|Hidril|Hydril|Nefrix|Hidrochlortiazid|Hydro-Diuril|Hydro-Aquil|Jen-Diril|Apresazide|Dihydrochlorothiazide|HydroDIURIL|Dihydrochlorothiazid|Chlorzide|Dichlorosal|Hidroronol|Hydrothide|Hydrozide|Microzide|Neoflumen|Urodiazin|Dihydrochlorothiazidum|Ivaugan|Panurin|Bremil|Cidrex|Diaqua|Direma|Fluvin|Ro-hydrazide|Neo-codema|Lotensin HCT|Acuretic|Hydrocot|Moduretic|Pantemon|Dyazide|Zide|Dihydrochlorurite|Aquazide H|Hydro-D|Caplaril|Thiaretic|Thlaretic|Timolide|Unipres|Hydrochlorothiazidum|3;4-Dihydrochlorothiazide|Ziac|Diu-melusin|Apo-Hydro|6-Chloro-3;4-dihydro-2H-1;2;4-benzothiadiazine-7-sulfonamide 1;1-dioxide|Chlorizide|Disothiazid|Hidrosaluretil|Novodiurex|Spironazide|Acesistem|Acuilix|Aldazida|Briazide|Catiazida|Chlothia|Clorana|Condiuren|Dihydran|Diurogen|Dixidrasi|Esoidrina|Hyclosid|Indroclor|Manuril|Medozide|Mictrin|Mikorten|Modurcen|Natrinax|Saldiuril|Selozide|Tandiur|Urozide|Vaseretic|Didral|Hytrid|Nefrol|Unazid|Dihydrochlorurit|Hidro-Niagrin|Hidroclorotiazida|Hydro-Saluric|Concor Plus|Raunova Plus|Aquazide-H|Neo-Flumen|Neo-Minzil|Hydro Par|Lopressor HCT|Hydrochlorthiazidum|Hydro-T|HCT-Isis|Hydrochlorat|Hydrochlorot|Inderide|Idroclorotiazide|Mazide 25 mg|Hydrex-semi|Su 5879|Diu 25 Vigt|Hydrochlorothiazide Intensol|Aldactazide 25/25|Aldectazide 50/50|Inderide 80/25|NCI-C55925|Aldactazide|Maxzide|Prinzide|Copalia-hct|Exforge-hct|Imprida-hct|Rasilez-hct|Dafiro-hct|HCZ|Hydrochlorothiaizide|Chlorsulfonamidodihydrobenzothiadiazine dioxide|component of Cyclex|component of Esimil|Esidrix (TN)|Ser-Ap-Es|component of Aldoril|component of Dyazide|component of Caplaril|CCRIS 2082|component of Aldactazide|Hidroclorotiazida [INN-Spanish]|HSDB 3096|Hydrochlorothiazidum [INN-Latin]|UNII-0J48LPH2TH|EINECS 200-403-3|0J48LPH2TH|NSC 53477|NSC-53477|component of Butizide Prestabs|2H-1;2;4-Benzothiadiazine-7-sulfonamide; 6-chloro-3;4-dihydro-; 1;1-dioxide|6-chloro-1;1-dioxo-3;4-dihydro-2H-1$l^{6};2;4-benzothiadiazine-7-sulfonamide|BRN 0625101|CHEBI:5778|DTXSID2020713|6-Chloro-7-sulfamoyl-3;4-dihydro-2H-1;2;4-benzothiadiazine 1;1-dioxide|NSC53477|Dichlothiazide|MFCD00051765|HCT|SU-5879|3;4-Dihydro-6-chloro-7-sulfamyl-1;2;4-benzothiadiazine-1;1-dioxide|6-Chloro-3;4-dihydro-7-sulfamoyl-2H-1;2;4-benzothiadiazine 1;1-dioxide|6-chloro-1;1-dioxo-3;4-dihydro-2H-1lambda6;2;4-benzothiadiazine-7-sulfonamide|DTXCID80713|MLS000069619|H.H. 25/25|H.H. 50/50|6-Chloro-7-sulfamyl-3;4-dihydro-1;2;4-benzothiadiazine 1;1-dioxide|HYDROCHLOROTHIAZIDE COMPONENT|2H-1;2;4-Benzothiadiazine-7-sulfonamide; 6-chloro-3;4-dihydro-; 1; 1-dioxide|CAS-58-93-5|Hydrochlorothiazide [USP:INN:BAN:JAN]|NCGC00015508-08|ZIAC COMPONENT HYDROCHLOROTHIAZIDE|HH-50/50|SMR000035778|ESIMIL COMPONENT HYDROCHLOROTHIAZIDE|HYZAAR COMPONENT HYDROCHLOROTHIAZIDE|ALDORIL COMPONENT HYDROCHLOROTHIAZIDE|AVALIDE COMPONENT HYDROCHLOROTHIAZIDE|Dihydroxychlorothiazidum|DYAZIDE COMPONENT HYDROCHLOROTHIAZIDE|MAXZIDE COMPONENT HYDROCHLOROTHIAZIDE|RIPRAZO COMPONENT HYDROCHLOROTHIAZIDE|UNIPRES COMPONENT HYDROCHLOROTHIAZIDE|DUTOPROL COMPONENT HYDROCHLOROTHIAZIDE|PRINZIDE COMPONENT HYDROCHLOROTHIAZIDE|RASITRIO COMPONENT HYDROCHLOROTHIAZIDE|UNIRETIC COMPONENT HYDROCHLOROTHIAZIDE|ACCURETIC COMPONENT HYDROCHLOROTHIAZIDE|AMTURNIDE COMPONENT HYDROCHLOROTHIAZIDE|APRESAZIDE COMPONENT HYDROCHLOROTHIAZIDE|CAM-AP-ES COMPONENT HYDROCHLOROTHIAZIDE|H.R.-50 COMPONENT HYDROCHLOROTHIAZIDE|HYDRAP-ES COMPONENT HYDROCHLOROTHIAZIDE|HYDROPRES COMPONENT HYDROCHLOROTHIAZIDE|KERVEZIDE COMPONENT HYDROCHLOROTHIAZIDE|KINZALKOMB COMPONENT HYDROCHLOROTHIAZIDE|MODURETIC COMPONENT HYDROCHLOROTHIAZIDE|NORMOZIDE COMPONENT HYDROCHLOROTHIAZIDE|PRITORPLUS COMPONENT HYDROCHLOROTHIAZIDE|QUINARETIC COMPONENT HYDROCHLOROTHIAZIDE|SER-A-GEN COMPONENT HYDROCHLOROTHIAZIDE|SER-AP-ES COMPONENT HYDROCHLOROTHIAZIDE|TOLUCOMBI COMPONENT HYDROCHLOROTHIAZIDE|TRIBENZOR COMPONENT HYDROCHLOROTHIAZIDE|VASERETIC COMPONENT HYDROCHLOROTHIAZIDE|VISKAZIDE COMPONENT HYDROCHLOROTHIAZIDE|ZESTORETIC COMPONENT HYDROCHLOROTHIAZIDE|Hydrochlorothiazide form II|6-chloro-3;4-dihydro-2H-1;2;4-benzothiadiazine-7-sulfonamide-1;1-dioxide|ALDACTAZIDE COMPONENT HYDROCHLOROTHIAZIDE|DIOVAN HCT COMPONENT HYDROCHLOROTHIAZIDE|HYDRA-ZIDE COMPONENT HYDROCHLOROTHIAZIDE|HYDRO-RIDE COMPONENT HYDROCHLOROTHIAZIDE|IFIRMACOMBI COMPONENT HYDROCHLOROTHIAZIDE|Idroclorotiazide [DCIT]|BENICAR HCT COMPONENT HYDROCHLOROTHIAZIDE|EXFORGE HCT COMPONENT HYDROCHLOROTHIAZIDE|HYDRO-RESERP COMPONENT HYDROCHLOROTHIAZIDE|LOTENSIN HCT COMPONENT HYDROCHLOROTHIAZIDE|MICARDIS HCT COMPONENT HYDROCHLOROTHIAZIDE|MICARDISPLUS COMPONENT HYDROCHLOROTHIAZIDE|MONOPRIL HCT COMPONENT HYDROCHLOROTHIAZIDE|SPRIMEO-HCT COMPONENT HYDROCHLOROTHIAZIDE|TEKTURNA HCT COMPONENT HYDROCHLOROTHIAZIDE|TEVETEN HCT COMPONENT HYDROCHLOROTHIAZIDE|LOPRESSOR HCT COMPONENT HYDROCHLOROTHIAZIDE|ORETICYL FORTE COMPONENT HYDROCHLOROTHIAZIDE|SERPASIL-ESIDRIX COMPONENT HYDROCHLOROTHIAZIDE|APRESOLINE-ESIDRIX COMPONENT HYDROCHLOROTHIAZIDE|Hidroclorotiazida (INN-Spanish)|HYDROCHLOROTHIAZIDE (IARC)|HYDROCHLOROTHIAZIDE [IARC]|Hydrochlorothiazidum (INN-Latin)|Hydrochlorzide|Ezide|Hydrozide Injection; Veterinary|HYDROCHLOROTHIAZIDE (MART.)|HYDROCHLOROTHIAZIDE [MART.]|HYDROSERPINE PLUS (R-H-H) COMPONENT HYDROCHLOROTHIAZIDE|HYDROCHLOROTHIAZIDE (USP-RS)|HYDROCHLOROTHIAZIDE [USP-RS]|6-chloro-1;1-dioxo-3;4-dihydro-2H-1;2;4-benzothiadiazine-7-sulfonamide|IBERSARTAN/HYDROCHLOROTHIAZIDE ZENTIVA COMPONENT HYDROCHLOROTHIAZIDE|HYDROCHLOROTHIAZIDE (EP IMPURITY)|Hydrochlorothiazide (USP:INN:BAN:JAN)|HYDROCHLOROTHIAZIDE [EP IMPURITY]|Microzide (TN)|HYDROCHLOROTHIAZIDE (EP MONOGRAPH)|HYDROCHLOROTHIAZIDE [EP MONOGRAPH]|HYDROCHLOROTHIAZIDE (USP MONOGRAPH)|HYDROCHLOROTHIAZIDE [USP MONOGRAPH]|SR-01000000119|Hydrokraft|Idrodiuvis|Aquazide|Manschitt|Urirex|6-Chloro-3;4-dihydro-(2H)-1;2;4-benzothiadiazine-7-sulfonamide 1;1-Dioxide|HydroPar|Hypothiazide (C7H8ClN3O4S2)|Prestwick_263|Hydrochloro Thiazide|6-chloro-1;1-dioxo-3;4-dihydro-2H-1|E6;2;4-benzothiadiazine-7-sulfonamide|Hyzaar (Salt/Mix)|Aldoril (Salt/Mix)|Dutoprol (Salt/Mix)|Inderide (Salt/Mix)|Prinzide (Salt/Mix)|Accuretic (Salt/Mix)|Hydropres (Salt/Mix)|Thiazide; hydrochloro-|Spectrum_000877|Opera_ID_168|Maybridge1_004336|Prestwick0_000009|Prestwick1_000009|Prestwick2_000009|Prestwick3_000009|Spectrum2_001040|Spectrum3_000456|Spectrum4_000006|Spectrum5_000824|Lopac-H-4759|PANURIN DICHLOTRIDE|CHEMBL435|Tekturna HCT (Salt/Mix)|H 4759|cid_3639|SCHEMBL9349|Lopac0_000614|Oprea1_357174|BSPBio_000017|BSPBio_002132|KBioGR_000351|KBioSS_001357|8049-49-8|AF-614/30832002|BIDD:GT0153|DivK1c_000289|SPECTRUM1500335|BMCL182567 Compound 6a|SPBio_001259|SPBio_001938|BPBio1_000019|GTPL4836|Hydrochlorothiazide; crystalline|HYDROCHLOROTHIAZIDE [MI]|BDBM13076|component of Dyazide (Salt/Mix)|HMS500O11|HMS553N04|HYDROCHLOROTHIAZIDE [INN]|HYDROCHLOROTHIAZIDE [JAN]|KBio1_000289|KBio2_001357|KBio2_003925|KBio2_006493|KBio3_001352|C03AA03|HYDROCHLOROTHIAZIDE [HSDB]|component of Caplaril (Salt/Mix)|NINDS_000289|HMS1568A19|HMS1920D19|HMS2091L05|HMS2095A19|HMS2235I09|HMS3259O17|HMS3261L10|HMS3370P11|HMS3428A05|HMS3655M21|HMS3712A19|HYDROCHLOROTHIAZIDE [VANDF]|Pharmakon1600-01500335|BCP22001|HY-B0252|JFD00715|HYDROCHLOROTHIAZIDE [WHO-DD]|HYDROCHLOROTHIAZIDE [WHO-IP]|Tox21_110165|Tox21_201565|Tox21_300292|Tox21_500614|3;4-dihydro-6-chloro-7-sulfamoyl-1;2;4-benzothiadiazine-1;1-dioxide|CCG-40240|NSC757059|s1708|STK315354|3;2;4-benzothiadiazine-1;1-dioxide|Hydrochlorothiazide (JP18/USP/INN)|HYDROCHLOROTHIAZIDE [EMA EPAR]|2H-1;2;4-Benzothiadiazine-7-sulfonamide; 6-chloro-3;4-dihydro-;1;1-dioxide|6-chloro-3;4-dihydro-7-sulfamoyl-2H-1;2;4-benzothiadiazine-1;1-dioxide|AKOS000121373|Tox21_110165_1|AC-8114|DB00999|LP00614|NC00510|NSC-757059|PS-3162|SDCCGSBI-0050596.P005|6-chloro-1;1-dioxo-1;2;3;4-tetrahydro-1lambda~6~;2;4-benzothiadiazine-7-sulfonamide|6-chloro-3;4-dihydro-2H-benzo[e][1;2;4]thiadiazine-7-sulfonamide 1;1-dioxide|HYDROCHLOROTHIAZIDE [GREEN BOOK]|IDI1_000289|WLN: T66 BSWM EM DHJ HG ISZW|HYDROCHLOROTHIAZIDE [ORANGE BOOK]|NCGC00015508-01|NCGC00015508-02|NCGC00015508-03|NCGC00015508-04|NCGC00015508-05|NCGC00015508-06|NCGC00015508-07|NCGC00015508-09|NCGC00015508-10|NCGC00015508-11|NCGC00015508-12|NCGC00015508-13|NCGC00015508-14|NCGC00015508-16|NCGC00015508-17|NCGC00015508-25|NCGC00021906-03|NCGC00021906-04|NCGC00021906-05|NCGC00021906-06|NCGC00021906-07|NCGC00021906-08|NCGC00254017-01|NCGC00259114-01|NCGC00261299-01|1ST10104|BH164522|NCI60_004317|component of Butizide Prestabs (Salt/Mix)|Hydrochlorothiazide 1.0 mg/ml in Methanol|HYDROCHLOROTHIAZIDUM [WHO-IP LATIN]|SBI-0050596.P004|HYDROCHLOROTHIAZIDE COMPONENT OF ZIAC|AB00052012|EU-0100614|H1274|NS00000343|SW196569-3|EN300-16641|HYDROCHLOROTHIAZDE COMPONENT OF TOULOMI|HYDROCHLOROTHIAZIDE COMPONENT OF ESIMIL|HYDROCHLOROTHIAZIDE COMPONENT OF HYZAAR|6-Chloro-3;2;4-benzothiadiazine 1;1-dioxide|A19550|C07041|D00340|H10742|HYDROCHLOROTHIAZIDE COMPONENT OF ALDORIL|HYDROCHLOROTHIAZIDE COMPONENT OF AVALIDE|HYDROCHLOROTHIAZIDE COMPONENT OF DUTOPROL|HYDROCHLOROTHIAZIDE COMPONENT OF DYAZIDE|HYDROCHLOROTHIAZIDE COMPONENT OF MAXZIDE|HYDROCHLOROTHIAZIDE COMPONENT OF PRINZIDE|HYDROCHLOROTHIAZIDE COMPONENT OF RASITRIO|HYDROCHLOROTHIAZIDE COMPONENT OF RIPRAZO|HYDROCHLOROTHIAZIDE COMPONENT OF UNIPRES|HYDROCHLOROTHIAZIDE COMPONENT OF UNIRETIC|AB00052012-15|AB00052012_16|AB00052012_17|HYDROCHLOROTHIAZIDE COMPONENT OF AMTURNIDE|HYDROCHLOROTHIAZIDE COMPONENT OF H.R.-50|HYDROCHLOROTHIAZIDE COMPONENT OF HYDRAP-ES|HYDROCHLOROTHIAZIDE COMPONENT OF HYDROPRES|HYDROCHLOROTHIAZIDE COMPONENT OF MODURETIC|HYDROCHLOROTHIAZIDE COMPONENT OF NORMOZIDE|HYDROCHLOROTHIAZIDE COMPONENT OF TRIBENZOR|HYDROCHLOROTHIAZIDE COMPONENT OF VASERETIC|HYDROCHLOROTHIAZIDE COMPONENT OF VISKAZIDE|HYDROCHLOROTHIAZIDE COMPONENT

InChI Key

JZUFKLXOESDKRF-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

IUPAC Name

6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

25 26 0 0 0 0 0 0 0 0999 V2000
-3.2759 0.6532 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1895 1.4692 -0.2374 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8876 0...

Download SDF File (2222 bytes)

Experimental Data

Activity Data

Target Ion Channel

Voltage-gated inwardly rectifying potassium channel KCNH2

Uniprot Accession Number

Q12809

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

2.46380% inhibition at 1uM

Experimental Conditions

pH 7.4

Holding Potential

−70 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

Chinese hamster ovary (CHO) cells

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1371/journal.pone.0199348

URL

N/A (Not available)

PMID

29979714

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

-0.1

Complexity

494

TPSA (Å²)

135

H-Bond Donors

H-Bond Acceptors

Ring Count

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