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Molecule
Hydrochlorothiazide
CAS: 58-93-5 · C7H8ClN3O4S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58-93-5
- Molecular Formula
- C7H8ClN3O4S2
- Molecular Mass
- 297.75 g/mol
Identifiers
CAS Registry Number
58-93-5
SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
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)
Names and Synonyms
- Hydrochlorothiazide Common Name
- Hidril Synonym
- 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide Synonym
- Su 5879 Synonym
- Aquarius Synonym
- 6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide Synonym
- 6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide Synonym
- 6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide Synonym
- Chlorosulthiadil Synonym
- Dichlotride Synonym
- Diclotride Synonym
- Dihydrochlorothiazide Synonym
- 3,4-Dihydrochlorothiazide Synonym
- Esidrex Synonym
- Esidrix Synonym
- HCTZ Synonym
- HCZ Synonym
- Hydril Synonym
- Hydrochlorothiazide Synonym
- Hydro-Diuril Synonym
- Hydrosaluric Synonym
- Hypothiazid Synonym
- Hypothiazide Synonym
- Oretic Synonym
- Vetidrex Synonym
- Hypothiazide (C7H8ClN3O4S2) Synonym
- Nefrix Synonym
- Hydrochlorthiazide Synonym
- 6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide Synonym
- Hydrochlorothiazid Synonym
- Dihydrochlorothiazidum Synonym
- Dichlotiazid Synonym
- Disalunil Synonym
- Hidrochlortiazid Synonym
- Idrotiazide Synonym
- Drenol Synonym
- Megadiuril Synonym
- Hydro-Aquil Synonym
- Hidrotiazida Synonym
- Hydrodiuretic Synonym
- Dihydrochlorurite Synonym
- Dihydrochlorurit Synonym
- Microzide Synonym
- Hidrenox Synonym
- Nefrol Synonym
- Neoflumen Synonym
- Dichlozid Synonym
- Diuret-P Synonym
- Newtolide Synonym
- Hidrosaluretil Synonym
- Apo-Hydro Synonym
- Natrimax Synonym
- Dichlothiazide Synonym
- Servithiazid Synonym
- Urirex Synonym
- Tandiur Synonym
- Hydro-T Synonym
- Hydrex-semi Synonym
- HCT Synonym
- Didralin Synonym
- Hydro Par Synonym
- Carozide Synonym
- Idrodiuvis Synonym
- Hydrozide Synonym
- Hydrochlorzide Synonym
- Manschitt Synonym
- Zide Synonym
- Hydrocot Synonym
- Diurizid Synonym
- Aquazide H Synonym
- Clothia Synonym
- Maschitt Synonym
- Disothiazide Synonym
- Diurex Synonym
- Hydrex Synonym
- Pantemon Synonym
- Chlorsulthiadil Synonym
- Acuretic Synonym
- Ziac Synonym
- Lotensin HCT Synonym
- Caplaril Synonym
- HH 25/25 Synonym
- Thiuretic Synonym
- Unipres Synonym
- HH 50/50 Synonym
- Timolide Synonym
- Lopressor HCT Synonym
- Apresazide Synonym
- NSC 53477 Synonym
- Aquazide Synonym
- Clorana Synonym
- Trilopace H Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.75 g/mol | CAS Common Chemistry |
| 297.74500000000006 g/mol | RDKit | |
| 297.745 g/mol | RDKit | |
| 297.728 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(N)C=1C=C2C(=CC1Cl)NCNS2(=O)=O | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=JZUFKLXOESDKRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 273-275 °C | CAS Common Chemistry |
| Name | Hydrochlorothiazide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 118.35999999999999 Ų | RDKit |
| 118.36 Ų | RDKit | |
| LogP | -0.35129999999999967 | RDKit |
| -0.3513 | RDKit | |
| Molar Refractivity | 61.63640000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 296.9644754159999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 297.75 g/mol. Edit any field — others recompute live.
