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Diazoxide
CAS: 364-98-7 | C8H7ClN2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
364-98-7
Molecular Formula:
C8H7ClN2O2S
Molecular Mass:
230.68 g/mol
Names and Synonyms:
Diazoxide
2H-1,2,4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide
4H-1,2,4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide
SRG 95213
7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
Diazoxide
Dizoxide
Hyperstat
3-Methyl-7-chloro-1,2,4-benzothiadiazine 1,1-dioxide
Proglicem
Mutabase
NSC 64198
Eudemine injection
Sch 6783
Hypertonalum
Proglycem
NSC 76130
Identifiers:
SMILES:
CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
InChI:
InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
Key Properties
Melting Point
330.5 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.68 g/mol | CAS Common Chemistry |
| 230.676 g/mol | RDKit | |
| 229.991676144 g/mol | RDKit | |
| Canonical SMILES | O=S1(=O)N=C(NC2=CC=C(Cl)C=C21)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=GDLBFKVLRPITMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 330.5 °C | CAS Common Chemistry |
| Name | Diazoxide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.53 Ų | RDKit |
| LogP | 1.6818 | RDKit |
| Molar Refractivity | 54.54250000000002 | RDKit |
