Xyloxemine
Basic information
- CAS
1600-19-7- Standard SMILES
Cc1cccc(C)c1C(OCCOCCN(C)C)c1c(C)cccc1C- InChIKey
KLOZENAJUCRQKD-UHFFFAOYSA-N- Molecular formula
- C23H33NO2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.2511293
Overview
Xyloxemine is a small molecule drug. Xyloxemine has a monoisotopic molecular weight of 355.25 Da.
Names & identifiers
- Preferred name
- Xyloxemine
- IUPAC
- 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
- English name
- Xyloxemine
- Molecular formula
- C23H33NO2
- Molecular weight
- 355.52
Names & synonyms
Xyloxemine1600-19-7XyloxeminumXiloxeminaXyloxemine [INN]Xyloxeminum [INN-Latin]Xiloxemina [INN-Spanish]UNII-L95KV83PV9BS 6748L95KV83PV9BS-6748DTXSID50166781
Show more names
BS67482-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]ethyl-dimethyl-amineEthanamine, 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethyl-
Xyloxeminum (INN-Latin)Xiloxemina (INN-Spanish)RefChem:195554DTXCID00892722-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine2-(2-(Di-2,6-xylylmethoxy)ethoxy)-N,N-dimethylethylamine2-[2-(Di-2,6-xylylmethoxy)ethoxy]-N,N-dimethyl ethylamine2-(2-(Bis(2,6-dimethylphenyl)methoxy)ethoxy)-N,N-dimethylethanamine
Database identifiers
- CAS
1600-19-7- PubChem CID
- 17800
- DTXSID
DTXSID50166781- ChEMBL
CHEMBL2104502- UNII
- L95KV83PV9
- Nikkaji
- J7.526D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 458.8 · 458.8±40.0 °C(Predicted)
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- pka
- 8.8 · 8.80±0.28(Predicted)
- FDA UNII
- 95 KV83PV9 · L95KV83PV9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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