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Isoconazole

Isoconazole structure

CAS No:
27523-40-6
Formula:
C18H14Cl4N2O
Chemical Name:
Isoconazole
Synonyms:
1H-Imidazole,1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-;Imidazole,1-[2,4-dichloro-β-[(2,6-dichlorobenzyl)oxy]phenethyl]-;1-[2-(2,4-Dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole;Isoconazole;(±)-Isconazole
Categories:
Active Pharmaceutical Ingredients > Synthetic Anti-infective Drugs

Description

White or almost white powder.

1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole is a member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1. It is a dichlorobenzene, an ether and a member of imidazoles.|Isoconazole is an azole antifungal drug that has similar effectiveness to clotrimazole in the treatment of foot and vaginal infections.

Isoconazole Basic Attributes

Molecular Weight：

416.134

Exact Mass：

416.13

EC Number：

248-508-3

DSSTox ID：

DTXSID7045447

ATC Code：

D01AC05|D - Dermatologicals|G - Genito urinary system and sex hormones

Characteristics

PSA：

XLogP3：

5.93

Appearance：

COA

Density：

1.4±0.1 g/cm3

Melting Point：

179

Boiling Point：

555.1±50.0 °C at 760 mmHg

Flash Point：

289.5±30.1 °C

Refractive Index：

1.625

Storage Conditions：

2-8°C

Vapor Pressure：

8.55E-12mmHg at 25°C

Safety Information

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 34 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

MeSH Entry Terms：

1-(2,4-dichloro beta-(2,6-dichlorobenzyloxy)phenethyl) imidazole

Isoconazole Use and Manufacturing

Antibacterial; antifungal.

Computed Properties

Molecular Weight:416.1
XLogP3:5.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:415.983074
Monoisotopic Mass:413.986024
Topological Polar Surface Area:27
Heavy Atom Count:25
Complexity:407
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Isoconazole CAS 27523-40-6 for Scientific Research Chemical Reagents Use only

CAS No.: 27523-40-6

Grade: Pharmaceutical Grade

Content: 99%

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