Name: Miconazole nitrate
SKU: 22832-87-7

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Basic Information

Molecular Structure:
CAS No.:	22832-87-7
Name:	Miconazole nitrate

Formula:	C₁₈H₁₅Cl₄N₃O₄
Molecular Weight:	479.147
Synonyms:	1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid;Conofite;[2,4-Dichloro-.beta.-(2, 4-dichlorobenzyloxy)phenethyl]imidazole nitrate;1H-Imidazole,1-[2-(2,4-dichlorophenyl)-2- [(2,4-dichlorophenyl)methoxy]ethyl]-,mononitrate;Gyno-Monistat;Micatin;Imidazole, 1-[2,4-dichloro-.beta.-[ (2, 4-dichlorobenzyl)oxy]phenethyl]-, mononitrate;Florid;1H-Imidazole, 1-[2- (2,4-dichlorophenyl)-2-[(2, 4-dichlorophenyl)methoxy]ethyl]-, mononitrate;Daktarin;Aflorix;Miconazol Nitrate;
EINECS:	245-256-6
Density:	1.451g/cm3
Melting Point:	170-185 °C
Boiling Point:	555.1 °C at 760 mmHg
Flash Point:	289.5 °C
Solubility:	Slightly soluble in water. Soluble in propylene glycol or pyridine.
Appearance:	White crystal powder
Hazard Symbols:	Xn
Risk Codes:	22-43-40
Safety:	36/37
PSA:	93.10000
LogP:	6.63030

Synthetic route

: 22832-87-7
miconasole nitrate

: 71-43-2
benzene

: 61023-62-9
1-[β-(2,4-dichlorophenyl)-phenethyl]imidazole

Conditions

Conditions	Yield
Stage #1: miconasole nitrate With sodium hydroxide In chloroform Stage #2: benzene With trifluorormethanesulfonic acid In chloroform at 25℃; for 4h; Friedel Crafts alkylation;	65%

: 22832-87-7
miconasole nitrate

A: 1777-82-8
(2,4-dichlorophenyl)methanol

B: 50-84-0
2,4 dichlorobenzoic acid

C: 874-42-0
2,4-dichlorobenzaldeyhde

D: 61258-52-4
1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanol; compound with nitric acid

E: 68601-96-7
1-[2,4-dichloro-β-(2,4-dichlorophenylcarbonyloxy)phenethyl]-imidazole nitrate

F: 1-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-imidazolidine-2,4,5-trione; compound with nitric acid

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); oxygen In ethanol at 77.5℃; under 5171.5 Torr; for 3.4h; Product distribution; Mechanism; other times;	A 0.2 % Chromat. B 0.7 % Chromat. C 1.3 % Chromat. D 0.9 % Chromat. E 2.3 % Chromat. F 0.3 % Chromat.

...Expand

: 22832-87-7
miconasole nitrate

A: 50-84-0
2,4 dichlorobenzoic acid

B: 874-42-0
2,4-dichlorobenzaldeyhde

C: 61258-52-4
1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanol; compound with nitric acid

D: 68601-96-7
1-[2,4-dichloro-β-(2,4-dichlorophenylcarbonyloxy)phenethyl]-imidazole nitrate

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); oxygen In ethanol at 77.5℃; under 5171.5 Torr; for 3.4h; Further byproducts given;	A 0.7 % Chromat. B 1.3 % Chromat. C 0.9 % Chromat. D 2.3 % Chromat.

...Expand

: 22832-87-7
miconasole nitrate

A: N-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-formamide

B: N-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-oxalamide

C: 1-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-imidazolidine-2,4,5-trione

D: 68601-95-6
1-(2,4-dichloro-benzoyloxy)-1-(2,4-dichloro-phenyl)-2-imidazol-1-yl-ethane

Conditions

Conditions	Yield
With sodium hydroxide; 2,2'-azobis(isobutyronitrile); oxygen In ethanol at 111℃; under 10343 Torr; for 3.3h; Further byproducts given;

...Expand

: 22832-87-7
miconasole nitrate

A: 2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl-cyanamide

B: N-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-oxalamide

C: 1-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-imidazolidine-2,4,5-trione

D: 68601-95-6
1-(2,4-dichloro-benzoyloxy)-1-(2,4-dichloro-phenyl)-2-imidazol-1-yl-ethane

Conditions

Conditions	Yield
With sodium hydroxide; 2,2'-azobis(isobutyronitrile); oxygen In ethanol at 111℃; under 10343 Torr; for 3.3h; Further byproducts given;

...Expand

: 22832-87-7
miconasole nitrate

A: [2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-urea

B: N-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-oxalamide

C: 1-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-imidazolidine-2,4,5-trione

D: 68601-95-6
1-(2,4-dichloro-benzoyloxy)-1-(2,4-dichloro-phenyl)-2-imidazol-1-yl-ethane

Conditions

Conditions	Yield
With sodium hydroxide; 2,2'-azobis(isobutyronitrile); oxygen In ethanol at 111℃; under 10343 Torr; for 3.3h; Further byproducts given;

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 22832-87-7
miconasole nitrate

: 2,6-di-tert-butyl-4-methylphenol-miconazole adduct

Downstream Products

61258-52-4

874-42-0

50-84-0

Total:244 Page 1 of 7 1 2 3 4 5 6 …7 Next>>

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Specification

The Miconazole nitrate, with the CAS registry number 22832-87-7, is also known as 1-(2,4-Dichloro-beta-[(2,4-dichlorobenzyl)oxy]phenethyl)imidazole nitrate. It belongs to the product categories of Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals.This chemical's molecular formula is C₁₈H₁₄Cl₄N₂O^.HNO₃and molecular weight is 479.15. What's more,Its systematic name is Miconazole nitrate.It is a White Solid.And it is an imidazole antifungal agent that is used topically and by intravenous infusion. Inhibits lanosterol demethylase and induces formation of reactive oxygen species.The Miconazole nitrate is harmful if swallowed .There is limited evidence of a carcinogenic effect. It may cause sensitization by skin contact .When you use it, wear suitable protective clothing and gloves.

Physical properties about Methyltrimethoxysilane are:
(1)ACD/LogP: 5.932; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.76; (4)ACD/LogD (pH 7.4): 5.86; (5)ACD/BCF (pH 5.5): 1289.42; (6)ACD/BCF (pH 7.4): 16071.52; (7)ACD/KOC (pH 5.5): 2729.93; (8)ACD/KOC (pH 7.4): 34026.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Flash Point: 289.5 °C; (13)Enthalpy of Vaporization: 80.52 kJ/mol ; (14)Boiling Point: 555.1 °C at 760 mmHg; (15)Vapour Pressure: 8.55E-12 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:[O-][N+](=O)O.Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2Cl)Cn3ccnc3;
(2)Std. 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);
(3)Std. InChIKey:MCCACAIVAXEFAL-UHFFFAOYSA-N.

The toxicity data of Miconazole nitrate as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	> 160mg/kg (160mg/kg)		Chemotherapy Vol. 17(6), Pg. 392, 1972.
guinea pig	LD50	oral	276mg/kg (276mg/kg)		Chemotherapy Vol. 17(6), Pg. 392, 1972.
mouse	LD50	intraperitoneal	480mg/kg (480mg/kg)		Drugs in Japan Vol. 6, Pg. 809, 1982.
mouse	LD50	intravenous	28mg/kg (28mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 181, 1980.
mouse	LD50	oral	578mg/kg (578mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	Chemotherapy Vol. 17(6), Pg. 392, 1972.
mouse	LD50	subcutaneous	> 5gm/kg (5000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 7, Pg. 353, 1976.
rat	LD50	intraperitoneal	1060mg/kg (1060mg/kg)		Drugs in Japan Vol. 6, Pg. 809, 1982.
rat	LD50	intravenous	14700ug/kg (14.7mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 181, 1980.
rat	LD50	oral	920mg/kg (920mg/kg)		Drugs in Japan Vol. 6, Pg. 809, 1982.
rat	LD50	subcutaneous	> 5gm/kg (5000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 7, Pg. 353, 1976.

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Specification