Basic information
- CAS
65415-42-1- Standard SMILES
CCOC(=O)COc1c(Br)cc(Br)cc1CN(C)C1CCCCC1- InChIKey
RMBSXTDJPPLMFP-UHFFFAOYSA-N- Molecular formula
- C18H25Br2NO3
- Average molar mass
- 463.2 g/mol
- Monoisotopic mass
- 461.02012
Overview
Oxabrexine is a small molecule drug. Oxabrexine has a monoisotopic molecular weight of 461.02 Da.
Names & identifiers
- Preferred name
- Oxabrexine
- IUPAC
- ethyl 2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenoxy]acetate
- English name
- Oxabrexine
- Molecular formula
- C18H25Br2NO3
- Molecular weight
- 463.2
Names & synonyms
OxabrexineOxabrexina65415-42-1Oxabrexine [INN]OxabrexinumOxabrexinF220MU498KUNII-F220MU498KEthyl 4,6-dibrom-2-(N-cyclohexyl-N-methylaminomethyl)phenoxyacetatEthyl((4,6-dibromo-alpha-(cyclohexylmethylamino)-o-tolyl)oxy)acetateEthyl-((4,6-dibromo-alpha-(cyclohexylmethylamino)-o-tolyl)oxy)acetateETHYL((4,6-DIBROMO-.ALPHA.-(CYCLOHEXYLMETHYLAMINO)-O-TOLYL)OXY)ACETATE
Show more names
[4,6-Dibromo-2-[[cyclohexyl(methyl)amino]methyl]phenoxy]acetic acid ethyl esterAcetic acid, 2-[2,4-dibromo-6-[(cyclohexylmethylamino)methyl]phenoxy]-, ethyl ester
RefChem:168759ethyl 2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenoxy]acetateethyl 2-(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenoxy)acetateSCHEMBL1816156CHEMBL2104772DTXSID80984031EBC-71027NS00125042
Database identifiers
- CAS
65415-42-1
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 476.5 · 476.5±40.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 8.28 · 8.28±0.20(Predicted)
- FDA UNII
- 220 MU498K · F220MU498K
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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