UCSF

ZINC00896569

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 17 Yes

Popular Name: Hydrochlorothiazide Hydrochlorothiazide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 175532-13-5 , 58-93-5 , [58-93-5]

Other Names:

"Hydrochlorothiazide, 98%"

thiazide

125727-50-6

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; 3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide; 3,4-dihydro-6-chloro-7-sulfamoyl

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

3,4-Dihydro-6-chloro-7-sulfamyl-1,2, 4-benzothi

3,4-Dihydrochlorothiazide

3,4-Dihydrochlorothiazide; Acuretic; Aldactazide; Aldoril; Apresazide; Aquarills; Aquarius; Bremil; Caplaril; Capozide; Chlorosulthiadil; Chlorothiazide; Chlorsulfonamidodihydrobenzothiadiazine dioxide; Chlorzide; Cidrex; Dichlorosal; Dichlotiazid; Dichlo

3,4-Dihydrochlorothiazide;Acuretic;Aldactazide;Aldoril;Apresazide;Aquarills;Aquarius;Bremil;Caplaril;Capozide;Chlorosulthiadil;Chlorothiazide;Chlorsulfonamidodihydrobenzothiadiazine dioxide;Chlorzide;Cidrex;Dichlorosal;Dichlotiazid;Dichlotride;Diclotride

58-93-5

58-93-5; C07041; Hydrochlorothiazide

58-93-5; CPD000035778; Hydrochlorothiazide; SAM002554901

58-93-5; D00340; Esidrix (TN); Hydrochlorothiazide (JP16/USP/INN); Microzide (TN)

58-93-5; Hydrochlorothiazide; Prestwick_263

6-Chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-benzo[1,2,4]thiadiazine-7-sulfonic acid amide

6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide

6-Chloro-3,4-Dihydro-(2H)-1,2,4-Benzothiadiazine-7-Sulfonamide1,1-Dioxide

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

6-Chloro-7-sulfamoyl-3, 4-dihy

6-Chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide

6-Chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide

8049-49-8

AB00052012

AC-11072

AC1L1GDT

AC1Q55FM

Acesistem

Acuilix

Acuretic

adiazine-1,1-dioxide

AF-614/30832002

AKOS000121373

Aldactazide 25/25

Aldazida

Aldectazide 50/50

Aldoril

ALDORIL 25; HYDROCHLOROTHIAZIDE; LS-187972; METHYLDOPA

Ambap58-93-5

Ameride; Amilco; Amiloride hydrochloride mixture with Hydrochlorothiazide; Amiloride hydrochloride-hydrochlorothiazide; Amitrid; Hypertane; Kaluril; LS-127568; Moduret 25; Moduretic; Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-, monohyd

Apo-Hydro

Apresazide

APRESAZIDE; APRESOLINE-ESIDRIX; C8H8N4.C7H8ClN3O4S2.HCl; HYDRA-ZIDE; HYDRALAZINE AND HYDROCHLORTHIAZIDE; HYDRALAZINE HCL AND HYDROCHLOROTHIAZIDE; HYDRALAZINE HCL W/ HYDROCHLOROTHIAZIDE 100/50; HYDRALAZINE HCL W/ HYDROCHLOROTHIAZIDE 25/25; HYDRALAZINE HCL

Aquarills

Aquarius

Aquazide H

Aquazide H,Carozide,Diaqua,Esidrix,Ezide,HydroPar,HydroDIURIL,Hydrocot,Hydrokraft,Loqua,Oretic

Aquazide-H

ARONIS24316

BAN

BAS 00371709

BENZENEETHANIMIDAMIDE,3-CHLORO-N-HYDROXY-

BIDD:GT0153

Bio-0714

BPBio1_000019

BRD-K13078532-001-05-2

Bremil

Briazide

BRN 0625101

BSPBio_000017

BSPBio_002132

C10H22N4.C7H8ClN3O4S2.H2O4S; ESIMIL; GUANETHIDINE MONOSULFATE; HYDROCHLOROTHIAZIDE; LS-178548

C7H8ClN3O4S2

Caplaril

Capozide

Capozide; Captopril combination with hydrochlorothiazide; L-Proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-, (S)-, mixt. with 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; LS-118957

Carozide

CAS-58-93-5

Catiazida

CCRIS 2082

CHEMBL435

Chlorizide

Chlorosulthiadil

Chlorsulfonamidodihydrobenzothiadiazine dioxide

Chlorzide

Chlothia

CID3639

Cidrex

Clorana

component of Aldactazide

component of Aldoril

Component of Butizide Prestabs

component of Caplaril

component of Cyclex

component of Dyazide

component of Esimil

Concor Plus

Condiuren

CPD000035778

CPD000035778; Hydrochlorothiazide; SAM002554901

D00340

D006852

DAP000750

DB00999

Diaqua

Dichlorosal

Dichlorotride

Dichlothiazide

Dichlotiazid

Dichlotride

diclot ride

Diclotride

Dicyclotride

Didral

Dihydran

Dihydrochlorothiazid

Dihydrochlorothiazide

Dihydrochlorothiazidum

Dihydrochlorurit

Dihydrochlorurite

Dihydroxychlorothiazidum

Direma

Disalunil

Disothiazid

Diu 25 Vigt

Diu-Melusin

Diurogen

DivK1c_000289

Dixidrasi

Drenol

dro-2H-1,2,4-benzothiadiazine 1,1-dioxide

EINECS 200-403-3

Esidrex

Esidrix

Esidrix (TN)

Esimil

Esoidrina

EU-0100614

FDA

Fluvin

FT-0082750

H 4759

H1274

H2910_SIAL

H4759_SIAL

HCT

HCT-Isis

HCTZ

HCZ

Hidril

Hidro-Niagrin

Hidrochlortiazid

Hidroclorotiazida

Hidroclorotiazida [INN-Spanish]

Hidroronol

Hidrosaluretil

Hidrotiazida

HMS1568A19

HMS1920D19

HMS2091L05

HMS500O11

HMS553N04

HSDB 3096

Hyclosid

Hydrex-semi

Hydril

Hydro Par

Hydro-Aquil

Hydro-chlor

Hydro-D

Hydro-Diuril

Hydro-Saluric

Hydro-T

Hydrochlorat

Hydrochlorot

Hydrochlorothiazid

Hydrochlorothiazide (BAN

Hydrochlorothiazide (FDA

Hydrochlorothiazide (JP15/USP/INN)

Hydrochlorothiazide Intensol

Hydrochlorothiazide [INN:BAN:JAN]

Hydrochlorothiazide, 98%

Hydrochlorothiazidum

Hydrochlorothiazidum [INN-Latin]

Hydrochlorthiazide

Hydrochlorthiazidum

Hydrocot

Hydrodiuretic

HydroDIURIL

Hydropres

Hydrosaluric

Hydrothide

Hydrozide

Hydrozide Injection, Veterinary

Hypothiazid

Hypothiazide

Hytrid

I09-0531

IDI1_000289

Idroclorotiazide

Idroclorotiazide [DCIT]

Idrotiazide

Inderide 80/25

Indroclor

INN

Ivaugan

JAN

Jen-Diril

KBio1_000289

KBio2_001357

KBio2_003925

KBio2_006493

KBio3_001352

KBioGR_000351

KBioSS_001357

Lotensin HCT

LS-243

Manuril

Maschitt

Maybridge Compound 10

Maybridge1_004336

Mazide 25 mg

Medozide

Megadiuril

MFCD00051765

Microzide

Microzide (TN)

Mictrin

Mikorten

MLS000069619

Modurcen

Moduretic

MolPort-000-144-465

Natrinax

NCGC00015508-01

NCGC00015508-02

NCGC00015508-03

NCGC00015508-07

NCGC00015508-12

NCGC00021906-03

NCGC00021906-04

NCGC00021906-05

NCGC00021906-06

NCGC00021906-07

NCGC00021906-08

NCI-C55925

NCI60_004317

Nefrix

Nefrol

Neo-Codema

Neo-Flumen

Neo-Minzil

Neoflumen

Newtolide

NINDS_000289

Novodiurex

NSC 53477

NSC53477

Oprea1_357174

Oretic

Pantemon

Panurin

panurin dichloride

Prestwick0_000009

Prestwick1_000009

Prestwick2_000009

Prestwick3_000009

Prestwick_263

Raunova Plus

Ro-Hydrazide

Roxane

S1708_Selleck

Saldiuril

SAM002554901

Sectrazide

Selozide

Servithiazid

SMR000035778

SPBio_001259

SPBio_001938

SPECTRUM1500335

Spectrum2_001040

Spectrum3_000456

Spectrum4_000006

Spectrum5_000824

Spectrum_000877

Spironazide

SS-7511

STK315354

Su 5879

Tandiur

Thiaretic

Thiuretic

Thlaretic

Timolide

Unazid

UNII-0J48LPH2TH

Urodiazin

Urozide

USP)

Vaseretic

Vetidrex

WLN: T66 BSWM EM DHJ HG ISZW

Zide

ZINC00896569

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.06 -5.31 -19.65 4 7 0 118 297.745 1 ↓

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
ALOGPS_SOLUBILITY 2.24e+00 g/l DrugBank-approved
Melting_Point 266-272? Alfa-Aesar
Melting_Point 266-272° Alfa-Aesar
MP 272 TCI
Purity 97% APIChem
mechanism Carbonic anhydrase inhibitor IBScreen Bioactives
Therapy Carbonic anhydrase inhibitor; diuretic SMDC Iconix
biological_use Chloruretic IBScreen Bioactives
therap diuretic MicroSource Spectrum
biological_use Diuretic and antihypertensive agent IBScreen Bioactives IBScreen Bioactives
biological_use Kaliuretic. IBScreen Bioactives
biological_use Natriuretic IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : H-3425; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: H-3425; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-5-E Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic Eukaryotes 328 0.53 Binding ≤ 10μM
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 290 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 328 0.53 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 290 0.54 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 328 0.53 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 290 0.54 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.