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Fexinidazole

Fexinidazole structure

CAS No:
59729-37-2
Formula:
C12H13N3O3S
Chemical Name:
Fexinidazole
Synonyms:
1H-Imidazole,1-methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-;1-Methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-1H-imidazole;Fexinidazole;HOE 239;1-Methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Fexinidazole has been investigated for the treatment of Disease, Chagas and South American Trypanosomiasis.|Fexinidazole is a Nitroimidazole Antimicrobial. The mechanism of action of fexinidazole is as a Cytochrome P450 1A2 Inhibitor, and Cytochrome P450 2B6 Inhibitor, and Cytochrome P450 2C19 Inhibitor, and Cytochrome P450 2D6 Inhibitor, and Cytochrome P450 3A4 Inhibitor, and Cytochrome P450 3A5 Inhibitor, and Cytochrome P450 1A2 Inducer, and Cytochrome P450 2B6 Inducer, and Organic Anion Transporting Polypeptide 1B1 Inhibitor, and Organic Anion Transporting Polypeptide 1B3 Inhibitor, and Organic Cation Transporter 2 Inhibitor, and Organic Anion Transporter 1 Inhibitor, and Organic Anion Transporter 3 Inhibitor, and Multidrug and Toxin Extrusion Transporter 1 Inhibitor, and Multidrug and Toxin Extrusion Transporter 2 K Inhibitor.

Fexinidazole Basic Attributes

Molecular Weight：

279.31500

Exact Mass：

279.31

UNII：

306ERL82IR

DSSTox ID：

DTXSID00208448

ATC Code：

P - Antiparasitic products, insecticides and repellents

HScode：

2933290090

Characteristics

PSA：

98.17000

XLogP3：

3.15240

Density：

1.33g/cm3

Boiling Point：

501 °C

Flash Point：

263.1ºC

Refractive Index：

1.629

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

fexinidazole

Fexinidazole Use and Manufacturing

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:279.32
XLogP3:2.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:279.06776246
Monoisotopic Mass:279.06776246
Topological Polar Surface Area:98.2
Heavy Atom Count:19
Complexity:305
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes