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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
Conoderm
Andergin
Albistat
Dactrine
Miconaz
Priconazole
Zimycan
NSC 169434
Hi-Pick
Monistat Cream and Suppositories
Florid
Dermonistat
Fungisdin
Antifungal Cream
Loptrimin AF Jock-Itch Powder Aerosol
Deralbine
Fungiderm
Micotef
Lotrimin AF Spray Liquid
Miconal
Aflorix
Conofite
Brentan
Daktar
Lotrimin AF Powder
Prilagin
Ecobi
Gyno-Monistat
Gyno-Daktarin
Lotrimin AF Powder Aerosol
Zeasorb AF
Vodol
Epi-Monistat
Micatin
Monistat-Derm
(±)-Miconazole nitrate
Monistat
Daktarin
Daktarin talc
R 14889
Miconazole nitrate
[2,4-Dichloro-β-(2,4-dichlorobenzyloxy)phenethyl]imidazole nitrate
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-, mononitrate
Imidazole, 1-[2,4-dichloro-β-[(2,4-dichlorobenzyl)oxy]phenethyl]-, mononitrate
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-, nitrate (1:1)

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

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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

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