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Oxeladin

Oxeladin structure

CAS No:
468-61-1
Formula:
C20H33NO3
Chemical Name:
Oxeladin
Synonyms:
Benzeneacetic acid,α,α-diethyl-,2-[2-(diethylamino)ethoxy]ethyl ester;Butyric acid,2-ethyl-2-phenyl-,2-[2-(diethylamino)ethoxy]ethyl ester;Ethanol,2-(2-diethylaminoethoxy)-,2-ethyl-2-phenylbutyrate;2-(2-Diethylaminoethoxy)ethyl α,α-diethylphenylacetate;2-(2-Diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate;Oxeladin;2-[2-(Diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate;2-Ethyl-2-phenyl-butyric acid 2-(2-diethylamino-ethoxy)-ethyl ester
Categories:
Active Pharmaceutical Ingredients > Respiratory Drugs

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Description

Oxeladin is an alkylbenzene.|Withdrawn from the Canadian, US, and UK markets in 1976 due to carcinogenicity.

Oxeladin Basic Attributes

Molecular Weight：

335.48092

Exact Mass：

335.48

EC Number：

207-412-1

UNII：

SNC1080T5Y

DSSTox ID：

DTXSID0048343

ATC Code：

R - Respiratory system

Characteristics

PSA：

38.8

XLogP3：

3.64600

Density：

0.991g/cm3

Melting Point：

<25 °C

Boiling Point：

150 °C

Flash Point：

208.5ºC

Refractive Index：

1.492

Water Solubility：

47.7 [ug/mL]

Vapor Pressure：

2.66E-07mmHg at 25°C

Collision Cross Section：

178.3 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

Drug Information

MeSH：

Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally. (See all compounds classified as Antitussive Agents.)

MeSH Entry Terms：

2-(2-diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate

Computed Properties

Molecular Weight:335.5
XLogP3:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:13
Exact Mass:335.24604391
Monoisotopic Mass:335.24604391
Topological Polar Surface Area:38.8
Heavy Atom Count:24
Complexity:332
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes