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Niclosamide
CAS: 50-65-7 | C13H8Cl2N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-65-7
Molecular Formula:
C13H8Cl2N2O4
Molecular Mass:
327.12 g/mol
Names and Synonyms:
Niclosamide
Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-
Salicylanilide, 2′,5-dichloro-4′-nitro-
5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Bayluscid
5-Chloro-2′-chloro-4′-nitrosalicylanilide
N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide
2′,5-Dichloro-4′-nitrosalicylanilide
HL 2447
2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide
Iomesan
Niclosamide
Phenasal
Vermitin
Yomesan
2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid
Fenasal
N-(2′-Chloro-4′-nitrophenyl)-5-chlorosalicylamide
Mansonil
Radeverm
5-Chloro-N-(2′-chloro-4′-nitrophenyl)salicylamide
Bayer 2353
Lintex
Nasemo
Sulqui
Tredemine
Sagimid
Devermin
Devermine
Cestocid
Mato
Vermitid
Helmiantin
Fedal-Telmin
BAY 2353
Zestocarp
WR 46234
Utosamide
Niclocide
Cestocide
Ruby
NSC 178296
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N=C(O)c2cc(Cl)ccc2O)c(Cl)c1
InChI:
InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
Key Properties
Melting Point
225-230 °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 | 327.12 g/mol | CAS Common Chemistry |
| 327.12300000000005 g/mol | RDKit | |
| 325.986112096 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(C=C1Cl)N(=O)=O)C2=CC(Cl)=CC=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19) | CAS Common Chemistry |
| InChI Key | InChIKey=RJMUSRYZPJIFPJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225-230 °C | CAS Common Chemistry |
| Name | Niclosamide | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 95.96000000000001 Ų | RDKit |
| LogP | 4.243500000000002 | RDKit |
| Molar Refractivity | 80.04900000000002 | RDKit |
