Zileuton

Description

Zileuton · CAS 111406-87-2 · C11H12N2O2S. UNII V1L22WVE2S. Melting Point: 144.2-145.2 °C; Melting Point: 144.2 - 145.2 °C; Solubility: 5.39e-02 g/L.

Identification

CAS Registry Number	111406-87-2
PubChem CID	60490
Molecular formula	C11H12N2O2S
IUPAC name	1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
UNII (FDA)	V1L22WVE2S

Computed Descriptors

Molecular Weight	236.29
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	236.06194880
Monoisotopic Mass	236.06194880
Topological Polar Surface Area	94.8
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Melting Point	144.2-145.2 °C
Melting Point	144.2 - 145.2 °C
Solubility	5.39e-02 g/L
LogP	0.9
LogP	2.05

Physical description & handling notes

• Solid
• Practically insoluble (0.5 mg/ml)
• 156.4 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9023752]
• 152.32 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 148.07 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 143.57 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H302 (100%), H319 (88.4%)

Documented Uses

• For the prophylaxis and chronic treatment of asthma in adults and children 12 years of age and older.
• Zileuton is a 5-lipoxygenase inhibitor approved by the United States Food and Drug Administration (FDA) for the prophylaxis and treatment of chronic asthma in patients aged 12 and older.
• Zileuton is an antiinflammatory leukotriene pathway inhibitor classified as an inhibitor of the enzyme 5-lipoxygenase that is used in the treatment of asthma and allergic rhinitis. Zileuton has been linked to rare cases of drug induced liver disease and is considered to be contraindicated in patients with active liver disease.
• Breast Feeding; Lactation; Milk, Human; Anti-Asthmatic Agents; Leukotriene Antagonists; Lipoxygenase Inhibitors
• Avoid excessive or chronic alcohol consumption.
• Exercise caution with grapefruit products. Zileuton is partially metabolized through CYP3A4. Therefore grapefruit, a CYP3A4 inhibitor, may reduce the metabolism of zileuton.

Synonyms

ZILEUTON; 111406-87-2; Zyflo; Leutrol; Zyflo CR; Zileutonum; A-64077; 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea; N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea; ABBOTT-64077; DTXSID9023752; V1L22WVE2S; NSC-730712; NSC-759277; (+-)-1-(1-Benzo(b)thien-2-ylethyl)-1-hydroxyurea; N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea

Frequently Asked Questions

What are the CAS number and molecular formula of Zileuton?

CAS 111406-87-2; molecular formula C11H12N2O2S; molecular weight — g/mol.

What other names is Zileuton known by?

ZILEUTON, 111406-87-2, Zyflo, Leutrol, Zyflo CR, Zileutonum.

Is Zileuton classified as hazardous?

Hazard statements reported: H302, H319.

What are the key physical properties of Zileuton?

Melting Point: 144.2-145.2 °C; Melting Point: 144.2 - 145.2 °C; Solubility: 5.39e-02 g/L; LogP: 0.9.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.