Hydrochlorothiazide

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Hydrochlorothiazide are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Hydrochlorothiazide?

The molecule Hydrochlorothiazide presents a molecular formula of C7H8ClN3O4S2 and its IUPAC name is 6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Hydrochlorothiazide is a diuretic medication often used to treat high blood pressure and other fluid retention conditions. The drug works by increasing urine output, which helps to relieve excess fluid from the body. Hydrochlorothiazide exists in both oral and injectable forms..

3D structure

Cartesian coordinates

Geometry of Hydrochlorothiazide in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Hydrochlorothiazide JZUFKLXOESDKRF-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Hydrochlorothiazide

 

Molecule descriptors

 
IUPAC name6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
InChI codeInChI=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)
InChI KeyJZUFKLXOESDKRF-UHFFFAOYSA-N
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • 051H765
  • 0J48LPH2TH
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide
  • 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide
  • 3,2,4-benzothiadiazine-1,1-dioxide
  • 3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide
  • 3,4-Dihydrochlorothiazide
  • 3,4-dihydro-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine-1,1-dioxide
  • 58-93-5
  • 6-Chloro-3,2,4-benzothiadiazine 1,1-dioxide
  • 6-Chloro-3,4-dihydro-(2H)-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide
  • 6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
  • 6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
  • 6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
  • 6-Chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
  • 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
  • 6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide
  • 6-chloro-1,1-dioxo-3,4-dihydro-2H-1?^{6},2,4-benzothiadiazine-7-sulfonamide
  • 6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
  • 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide
  • 6-chloro-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide
  • 8049-49-8
  • A19550
  • AB00052012
  • AB00052012-15
  • AB00052012_16
  • AB00052012_17
  • AC-8114
  • ACCURETIC COMPONENT HYDROCHLOROTHIAZIDE
  • AF-614/30832002
  • ALDACTAZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • ALDORIL COMPONENT HYDROCHLOROTHIAZIDE
  • AMTURNIDE COMPONENT HYDROCHLOROTHIAZIDE
  • APRESAZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • AVALIDE COMPONENT HYDROCHLOROTHIAZIDE
  • Acesistem
  • Acuilix
  • Acuretic
  • Aldactazide
  • Aldactazide 25/25
  • Aldazida
  • Aldectazide 50/50
  • Apo-Hydro
  • Apresazide
  • Aquarills
  • Aquarius
  • Aquazide
  • Aquazide H
  • Aquazide-H
  • BCP22001
  • BDBM13076
  • BENICAR HCT COMPONENT HYDROCHLOROTHIAZIDE
  • BH164522
  • BIDD:GT0153
  • BMCL182567 Compound 6a
  • BPBio1_000019
  • BRN 0625101
  • BSPBio_000017
  • BSPBio_002132
  • Bremil
  • Briazide
  • C07041
  • CAM-AP-ES COMPONENT HYDROCHLOROTHIAZIDE
  • CCG-40240
  • CCRIS 2082
  • Caplaril
  • Carozide
  • Catiazida
  • Cidrex
  • Clorana
  • Concor Plus
  • Condiuren
  • Copalia-hct
  • Chlorizide
  • Chlorosulthiadil
  • Chlorsulfonamidodihydrobenzothiadiazine dioxide
  • Chlorzide
  • Chlothia
  • D00340
  • DB00999
  • DIOVAN HCT COMPONENT HYDROCHLOROTHIAZIDE
  • DSSTox_CID_713
  • DSSTox_GSID_20713
  • DSSTox_RID_75752
  • DUTOPROL COMPONENT HYDROCHLOROTHIAZIDE
  • DYAZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • Dafiro-hct
  • Diaqua
  • Diclotride
  • Dichlorosal
  • Dichlotiazid
  • Dichlotride
  • Didral
  • Dihydran
  • Dihydrochlorothiazid
  • Dihydrochlorothiazide
  • Dihydrochlorothiazidum
  • Dihydrochlorurit
  • Dihydrochlorurite
  • Dihydroxychlorothiazidum
  • Direma
  • Disalunil
  • Disothiazid
  • Diu 25 Vigt
  • Diu-melusin
  • Diurogen
  • DivK1c_000289
  • Dixidrasi
  • Drenol
  • Dyazide
  • ESIMIL COMPONENT HYDROCHLOROTHIAZIDE
  • EU-0100614
  • EXFORGE HCT COMPONENT HYDROCHLOROTHIAZIDE
  • Esidrex
  • Esidrix
  • Esoidrina
  • Exforge-hct
  • Ezide
  • FT-0650564
  • Fluvin
  • GTPL4836
  • H 4759
  • H.H. 25/25
  • H.H. 50/50
  • H.R.-50 COMPONENT HYDROCHLOROTHIAZIDE
  • H10742
  • H1274
  • HCT
  • HCT-Isis
  • HCTZ
  • HCZ
  • HH-50/50
  • HMS1568A19
  • HMS1920D19
  • HMS2091L05
  • HMS2095A19
  • HMS2235I09
  • HMS3259O17
  • HMS3261L10
  • HMS3370P11
  • HMS3428A05
  • HMS3655M21
  • HMS3712A19
  • HMS500O11
  • HMS553N04
  • HSDB 3096
  • HY-B0252
  • HYDRA-ZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • HYDRAP-ES COMPONENT HYDROCHLOROTHIAZIDE
  • HYDRO-RESERP COMPONENT HYDROCHLOROTHIAZIDE
  • HYDRO-RIDE COMPONENT HYDROCHLOROTHIAZIDE
  • HYDROCHLOROTHIAZDE COMPONENT OF TOULOMI
  • HYDROCHLOROTHIAZIDE COMPONENT
  • HYDROCHLOROTHIAZIDE COMPONENT OF ALDACTAZIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF ALDORIL
  • HYDROCHLOROTHIAZIDE COMPONENT OF AMTURNIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF APRESAZIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF AVALIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF BENICAR HCT
  • HYDROCHLOROTHIAZIDE COMPONENT OF CAM-AP-ES
  • HYDROCHLOROTHIAZIDE COMPONENT OF DIOVAN HCT
  • HYDROCHLOROTHIAZIDE COMPONENT OF DUTOPROL
  • HYDROCHLOROTHIAZIDE COMPONENT OF DYAZIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF ESIMIL
  • HYDROCHLOROTHIAZIDE COMPONENT OF EXFORGE HCT
  • HYDROCHLOROTHIAZIDE COMPONENT OF H.R.-50
  • HYDROCHLOROTHIAZIDE COMPONENT OF HYDRA-ZIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF HYDRAP-ES
  • HYDROCHLOROTHIAZIDE COMPONENT OF HYDRO-RIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF HYDROPRES
  • HYDROCHLOROTHIAZIDE COMPONENT OF HYZAAR
  • HYDROCHLOROTHIAZIDE COMPONENT OF IFIRMACOMBI
  • HYDROCHLOROTHIAZIDE COMPONENT OF KINZALKOMB
  • HYDROCHLOROTHIAZIDE COMPONENT OF MAXZIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF MODURETIC
  • HYDROCHLOROTHIAZIDE COMPONENT OF NORMOZIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF PRINZIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF QUINARETIC
  • HYDROCHLOROTHIAZIDE COMPONENT OF RASILEZ-HCT
  • HYDROCHLOROTHIAZIDE COMPONENT OF RASITRIO
  • HYDROCHLOROTHIAZIDE COMPONENT OF RIPRAZO
  • HYDROCHLOROTHIAZIDE COMPONENT OF SER-A-GEN
  • HYDROCHLOROTHIAZIDE COMPONENT OF SER-AP-ES
  • HYDROCHLOROTHIAZIDE COMPONENT OF SPRIMEO-HCT
  • HYDROCHLOROTHIAZIDE COMPONENT OF TEVETEN HCT
  • HYDROCHLOROTHIAZIDE COMPONENT OF TRIBENZOR
  • HYDROCHLOROTHIAZIDE COMPONENT OF UNIPRES
  • HYDROCHLOROTHIAZIDE COMPONENT OF UNIRETIC
  • HYDROCHLOROTHIAZIDE COMPONENT OF VASERETIC
  • HYDROCHLOROTHIAZIDE COMPONENT OF VISKAZIDE
  • HYDROCHLOROTHIAZIDE COMPONENT OF ZESTORETIC
  • HYDROCHLOROTHIAZIDE COMPONENT OF ZIAC
  • HYDROPRES COMPONENT HYDROCHLOROTHIAZIDE
  • HYZAAR COMPONENT HYDROCHLOROTHIAZIDE
  • Hidril
  • Hidro-Niagrin
  • Hidroclorotiazida
  • Hidrochlortiazid
  • Hidroronol
  • Hidrosaluretil
  • Hidrotiazida
  • Hyclosid
  • Hydrex-semi
  • Hydril
  • Hydro Par
  • Hydro-Aquil
  • Hydro-D
  • Hydro-Diuril
  • Hydro-Saluric
  • Hydro-T
  • HydroDIURIL
  • HydroPar
  • Hydrocot
  • Hydrochlorat
  • Hydrochloro Thiazide
  • Hydrochlorot
  • Hydrochlorothiaizide
  • Hydrochlorothiazid
  • Hydrochlorothiazide
  • Hydrochlorothiazide (JP17/USP/INN)
  • Hydrochlorothiazide 1.0 mg/ml in Methanol
  • Hydrochlorothiazide Intensol
  • Hydrochlorothiazide form II
  • Hydrochlorothiazidum
  • Hydrochlorthiazide
  • Hydrochlorthiazidum
  • Hydrochlorzide
  • Hydrodiuretic
  • Hydrokraft
  • Hydrosaluric
  • Hydrothide
  • Hydrozide
  • Hydrozide Injection, Veterinary
  • Hypothiazid
  • Hypothiazide
  • Hytrid
  • IDI1_000289
  • IFIRMACOMBI COMPONENT HYDROCHLOROTHIAZIDE
  • Idroclorotiazide
  • Idrodiuvis
  • Idrotiazide
  • Imprida-hct
  • Inderide
  • Inderide 80/25
  • Indroclor
  • Ivaugan
  • JFD00715
  • Jen-Diril
  • KBio1_000289
  • KBio2_001357
  • KBio2_003925
  • KBio2_006493
  • KBio3_001352
  • KBioGR_000351
  • KBioSS_001357
  • KERVEZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • KINZALKOMB COMPONENT HYDROCHLOROTHIAZIDE
  • LOPRESSO
  • LOTENSIN HCT COMPONENT HYDROCHLOROTHIAZIDE
  • LP00614
  • Lopac-H-4759
  • Lopac0_000614
  • Lopressor HCT
  • Lotensin HCT
  • MAXZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • MFCD00051765
  • MICARDIS HCT COMPONENT HYDROCHLOROTHIAZIDE
  • MICARDISPLUS COMPONENT HYDROCHLOROTHIAZIDE
  • MLS000069619
  • MODURETIC COMPONENT HYDROCHLOROTHIAZIDE
  • MONOPRIL HCT COMPONENT HYDROCHLOROTHIAZIDE
  • Manschitt
  • Manuril
  • Maschitt
  • Maxzide
  • Maybridge1_004336
  • Mazide 25 mg
  • Medozide
  • Megadiuril
  • Microzide
  • Mictrin
  • Mikorten
  • Modurcen
  • Moduretic
  • NC00510
  • NCGC00015508-01
  • NCGC00015508-02
  • NCGC00015508-03
  • NCGC00015508-04
  • NCGC00015508-05
  • NCGC00015508-06
  • NCGC00015508-07
  • NCGC00015508-08
  • 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
  • NCI-C55925
  • NCI60_004317
  • NINDS_000289
  • NORMOZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • NSC 53477
  • NSC-53477
  • NSC-757059
  • NSC53477
  • NSC757059
  • Natrinax
  • Nefrix
  • Nefrol
  • Neo-Flumen
  • Neo-Minzil
  • Neo-codema
  • Neoflumen
  • Newtolide
  • Novodiurex
  • Opera_ID_168
  • Oprea1_357174
  • Oretic
  • POLYCAP COMPONENT HYDROCHLOROTHIAZIDE
  • PRINZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • PRITORPLUS COMPONENT HYDROCHLOROTHIAZIDE
  • PS-3162
  • Pantemon
  • Panurin
  • Pharmakon1600-01500335
  • Prestwick0_000009
  • Prestwick1_000009
  • Prestwick2_000009
  • Prestwick3_000009
  • Prestwick_263
  • Prinzide
  • QUINARETIC COMPONENT HYDROCHLOROTHIAZIDE
  • RASITRIO COMPONENT HYDROCHLOROTHIAZIDE
  • RIPRAZO COMPONENT HYDROCHLOROTHIAZIDE
  • Rasilez-hct
  • Raunova Plus
  • Ro-hydrazide
  • SBI-0050596.P004
  • SDCCGSBI-0050596.P005
  • SER-A-GEN COMPONENT HYDROCHLOROTHIAZIDE
  • SER-AP-ES COMPONENT HYDROCHLOROTHIAZIDE
  • SMR000035778
  • SPECTRUM1500335
  • SPRIMEO-HCT COMPONENT HYDROCHLOROTHIAZIDE
  • SR-01000000119
  • STK315354
  • SU-5879
  • SW196569-3
  • Saldiuril
  • Selozide
  • Ser-Ap-Es
  • Servithiazid
  • Spironazide
  • Su 5879
  • TEKTURNA HCT COMPONENT HYDROCHLOROTHIAZIDE
  • TEVETEN HCT COMPONENT HYDROCHLOROTHIAZIDE
  • TOLUCOMBI COMPONENT HYDROCHLOROTHIAZIDE
  • TRIBENZOR COMPONENT HYDROCHLOROTHIAZIDE
  • Tandiur
  • Thiaretic
  • Thiazide, hydrochloro-
  • Thiuretic
  • Thlaretic
  • Timolide
  • UNIPRES COMPONENT HYDROCHLOROTHIAZIDE
  • UNIRETIC COMPONENT HYDROCHLOROTHIAZIDE
  • Unazid
  • Unipres
  • Urirex
  • Urodiazin
  • Urozide
  • VASERETIC COMPONENT HYDROCHLOROTHIAZIDE
  • VISKAZIDE COMPONENT HYDROCHLOROTHIAZIDE
  • Vaseretic
  • Vetidrex
  • WLN: T66 BSWM EM DHJ HG ISZW
  • ZESTORETIC COMPONENT HYDROCHLOROTHIAZIDE
  • ZIAC COMPONENT HYDROCHLOROTHIAZIDE
  • Ziac
  • Zide
  • cid_3639
  • component of Aldactazide
  • component of Aldoril
  • component of Butizide Prestabs
  • component of Caplaril
  • component of Cyclex
  • component of Dyazide
  • component of Esimil
  • hydrochlorothiazide
  • s1708

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC896569
  • CAS-58-93-5
  • UNII-0J48LPH2TH
  • AKOS000121373
  • DTXSID2020713
  • CHEMBL435
  • CHEBI:5778
  • Tox21_110165
  • Tox21_201565
  • Tox21_300292
  • Tox21_500614
  • Tox21_110165_1
  • EINECS 200-403-3
  • SPBio_001259
  • SPBio_001938
  • SCHEMBL9349
  • Spectrum_000877
  • Spectrum2_001040
  • Spectrum3_000456
  • Spectrum4_000006
  • Spectrum5_000824

Physico-Chemical properties

IUPAC name6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular formulaC7H8ClN3O4S2
Molecular weight297.739
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity67.58
LogP3.0
Topological polar surface area135.1

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.