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Miconazole Nitrate
CAS: 22832-87-7 | C18H15Cl4N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22832-87-7
Molecular Formula:
C18H15Cl4N3O4
Molecular Weight:
479.14700000000016 g/mol
Names and Synonyms:
Miconazole Nitrate
Common Name
Conoderm
Synonym
Andergin
Synonym
Albistat
Synonym
Dactrine
Synonym
Miconaz
Synonym
Priconazole
Synonym
Zimycan
Synonym
NSC 169434
Synonym
Hi-Pick
Synonym
Monistat Cream and Suppositories
Synonym
Florid
Synonym
Dermonistat
Synonym
Fungisdin
Synonym
Antifungal Cream
Synonym
Loptrimin AF Jock-Itch Powder Aerosol
Synonym
Deralbine
Synonym
Fungiderm
Synonym
Micotef
Synonym
Lotrimin AF Spray Liquid
Synonym
Miconal
Synonym
Aflorix
Synonym
Conofite
Synonym
Brentan
Synonym
Daktar
Synonym
Lotrimin AF Powder
Synonym
Prilagin
Synonym
Ecobi
Synonym
Gyno-Monistat
Synonym
Gyno-Daktarin
Synonym
Lotrimin AF Powder Aerosol
Synonym
Zeasorb AF
Synonym
Vodol
Synonym
Epi-Monistat
Synonym
Micatin
Synonym
Monistat-Derm
Synonym
(±)-Miconazole nitrate
Synonym
Monistat
Synonym
Daktarin
Synonym
Daktarin talc
Synonym
R 14889
Synonym
Miconazole nitrate
Synonym
[2,4-Dichloro-β-(2,4-dichlorobenzyloxy)phenethyl]imidazole nitrate
Synonym
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-, mononitrate
Synonym
Imidazole, 1-[2,4-dichloro-β-[(2,4-dichlorobenzyl)oxy]phenethyl]-, mononitrate
Synonym
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-, nitrate (1:1)
Synonym
Identifiers:
SMILES:
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
InChI:
InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 479.14700000000016 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 476.98166667999993 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 29 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 90.42 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 6.107100000000003 | RDKit |
| molecular_mass | 479.15 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)O.ClC1=CC=C(C(Cl)=C1)COC(C2=CC=C(Cl)C=C2Cl)CN3C=NC=C3 None | Legacy Database |
| cas-inchi | InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=MCCACAIVAXEFAL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 170.5 °C None | Legacy Database |
| cas-name | Miconazole nitrate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 111.46190000000004 | RDKit |