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Diloxanide Furoate
CAS: 3736-81-0 | C14H11Cl2NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3736-81-0
Molecular Formula:
C14H11Cl2NO4
Molecular Mass:
328.15 g/mol
Names and Synonyms:
Diloxanide Furoate
2-Furancarboxylic acid, 4-[(2,2-dichloroacetyl)methylamino]phenyl ester
2-Furoic acid, ester with 2,2-dichloro-4′-hydroxy-N-methylacetanilide
2-Furancarboxylic acid, 4-[(dichloroacetyl)methylamino]phenyl ester
Furoic acid, ester with 2,2-dichloro-4′-hydroxy-N-methylacetanilide
Acetanilide, 2,2-dichloro-4′-hydroxy-N-methyl-, 2-furoate (ester)
8073 CB
Dichlofurazol
Entamide furoate
Entamide 2-furoate
4-Hydroxy-N-methyl dichloroacetanilide 2-furoate
Furamide (amebicide)
Furamide
Diloxanide furoate
Diloxanid furoate
Amebiazol
Diclofurazol
Furentomin
Histomibal
Miforon
Identifiers:
SMILES:
CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1
InChI:
InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3
Key Properties
Melting Point
111-114 °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 | 328.15 g/mol | CAS Common Chemistry |
| 328.151 g/mol | RDKit | |
| 327.006513192 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=C(C=C1)N(C(=O)C(Cl)Cl)C)C=2OC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BDYYDXJSHYEDGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111-114 °C | CAS Common Chemistry |
| Name | Diloxanide furoate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.75 Ų | RDKit |
| LogP | 3.2653000000000016 | RDKit |
| Molar Refractivity | 79.01250000000002 | RDKit |
