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Tomelukast

Tomelukast structure

CAS No:
88107-10-2
Formula:
C16H22N4O3
Chemical Name:
Tomelukast
Synonyms:
Ethanone,1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]-;Ethanone,1-[2-hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl]-;1-[2-Hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone;LY 171883;Tomelukast;1-[2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl]ethanone
Categories:
Surfactant > Anionic Surfactants

Description

ChEBI: A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti asthmatic activity.

Tomelukast is a member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity. It has a role as a leukotriene antagonist and an anti-asthmatic drug. It is a member of tetrazoles, a member of acetophenones, a member of phenols and an aromatic ether.

Tomelukast Basic Attributes

Molecular Weight：

318.37

Exact Mass：

318.37

UNII：

59762X5CLS

DSSTox ID：

DTXSID7020344

Characteristics

PSA：

101

XLogP3：

3.27

Density：

1.2±0.1 g/cm3

Melting Point：

113.5-115.0 °C @ Solvent: Ethyl acetate

Boiling Point：

553.0±60.0 °C at 760 mmHg

Flash Point：

288.3±32.9 °C

Refractive Index：

1.574

Storage Conditions：

Store at +4°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

KM5780800

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

A class of drugs designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level. (See all compounds classified as Leukotriene Antagonists.)

MeSH Entry Terms：

1-((2-hydroxy-3-propyl)-4-(1H-tetrazol-5-yl)butoxyphenyl)ethanone

Tomelukast Use and Manufacturing

Methods of Manufacturing

Add oleic acid into the saponification pot and heat it with steam to melt, then slowly add the triethanolamine aqueous solution, react at 50-60°C for 4h, cool, and discharge the finished product.

Uses

It is used as the preparation of metal cleaning agent, as well as the soft management of the fiber, which makes the product have good gloss and soft feel.

Computed Properties

Molecular Weight:318.37
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:318.16919058
Monoisotopic Mass:318.16919058
Topological Polar Surface Area:101
Heavy Atom Count:23
Complexity:369
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Triethanolamine