Basic information
- CAS
468-61-1- Standard SMILES
CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1- InChIKey
IQADUMSPOQKAAO-UHFFFAOYSA-N- Molecular formula
- C20H33NO3
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.24604391
Overview
Oxeladin is an alkylbenzene.
Names & identifiers
- Preferred name
- Oxeladin
- IUPAC
- 2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
- English name
- oxeladin
- Molecular formula
- C20H33NO3
- Molecular weight
- 335.48
Names & synonyms
Oxeladin468-61-1OxeladinaOxeladineOxeladinum2-(2-Diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate2-[2-(Diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoateSNC1080T5YDTXSID00483432-(2-(diethylamino)ethoxy)ethyl 2-ethyl-2-phenylbutanoateRefChem:168883DTXCID1028318
Show more names
oxeladin USP/EP/BPIQADUMSPOQKAAO-UHFFFAOYSA-N2-(β-1Diethylaminoethoxy)ethyl diethylphenyl acetateα,α-Diethylbenzeneacetic acid 2-(2-diethylaminoethoxy)ethyl ester2-Ethyl-2-phenylbutyric acid 2-[2-(diethylamino)ethoxy]ethyl esterBenzeneacetic acid, α,α-diethyl-, 2-[2-(diethylamino)ethoxy]ethyl ester
R05DB09207-412-1OXELAIDIN CITRATE2-Ethyl-2-phenylbutyric acid 2-(2-diethylaminoethoxy)ethyl esterEthanol, 2-(2-(diethylamino)ethoxy)-, 2-ethyl-2-phenylbutyrateOxeladin (INN)Oxeladina [INN-Spanish]OXELADIN [INN]
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 332
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Solubility47.7 [ug/mL] (The mean of the results at pH 7.4)
Melting Point< 25 °C
Collision Cross Section178.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 0.5 · bp0.5 150°; bp0.1 140°
- Density
- 1.072 · 1.0720 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- FDA UNII
- 1080 T5Y · SNC1080T5Y
- ATC code
- 5 DB09 · R05DB09
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 331 · H331-H301-H311
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Oxeladin (EC: 207-412-1)
Other Safety InformationIMAP assessments - Benzeneacetic acid, .alpha.,.alpha.-diethyl-, 2-[2-(diethylamino)ethoxy]ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H331-H301-H311
- REACH Registrations
- Active
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological ClassificationAgents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.
Applications
UsesOxeladin can be used in ex vivo modeling of drug efficacy in rare metastatic urachal carcinoma.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
武汉鹏胤药业有限公司13163333255 · [email protected]
BOC Sciences16314854226 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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