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Hydrochlorothiazide
CAS: 58-93-5 | C7H8ClN3O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58-93-5
Molecular Formula:
C7H8ClN3O4S2
Molecular Weight:
297.74500000000006 g/mol
Names and Synonyms:
Hydrochlorothiazide
Nefrix
Trilopace H
Clorana
Aquazide
NSC 53477
Apresazide
Lopressor HCT
Timolide
HH 50/50
Unipres
Thiuretic
HH 25/25
Caplaril
Lotensin HCT
Ziac
Acuretic
Chlorsulthiadil
Pantemon
Hydrex
Diurex
Disothiazide
Maschitt
Clothia
Aquazide H
Diurizid
Hydrocot
Zide
Manschitt
Hydrochlorzide
Hydrozide
Idrodiuvis
Carozide
Hydro Par
Didralin
HCT
Hydrex-semi
Hydro-T
Tandiur
Urirex
Servithiazid
Dichlothiazide
Natrimax
Apo-Hydro
Hidrosaluretil
Newtolide
Diuret-P
Dichlozid
Neoflumen
Nefrol
Hidrenox
Microzide
Dihydrochlorurit
Dihydrochlorurite
Hydrodiuretic
Hidrotiazida
Hydro-Aquil
Megadiuril
Drenol
Idrotiazide
Hidrochlortiazid
Disalunil
Dichlotiazid
Dihydrochlorothiazidum
Hydrochlorothiazid
6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide
Hydrochlorthiazide
Hypothiazide (C7H8ClN3O4S2)
Vetidrex
Oretic
Hypothiazide
Hypothiazid
Hydrosaluric
Hydro-Diuril
Hydrochlorothiazide
Hydril
HCZ
HCTZ
Esidrix
Esidrex
3,4-Dihydrochlorothiazide
Dihydrochlorothiazide
Diclotride
Dichlotride
Chlorosulthiadil
6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Aquarius
Su 5879
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide
Hidril
Identifiers:
SMILES:
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 297.75 g/mol | Legacy Database |
| cas-canonical-smile | O=S(=O)(N)C=1C=C2C(=CC1Cl)NCNS2(=O)=O None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=JZUFKLXOESDKRF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 273-275 °C None | Legacy Database |
| cas-name | Hydrochlorothiazide None | Legacy Database |
| LogP | -0.35129999999999967 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 297.74500000000006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 296.9644754159999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 118.35999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 61.63640000000001 | RDKit |
