Basic information
- CAS
27737-38-8- Standard SMILES
COc1ccc(CCN=C2CCCN2C)cc1OC- InChIKey
WRJDCGFHAICFLO-UHFFFAOYSA-N- Molecular formula
- C15H22N2O2
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.16812795
Overview
Mixidine is a small molecule drug. Mixidine has a monoisotopic molecular weight of 262.17 Da.
Names & identifiers
- Preferred name
- Mixidine
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine
- English name
- Mixidine
- Molecular formula
- C15H22N2O2
- Molecular weight
- 262.35
Names & synonyms
MIXIDINEMixidinaMixidinum27737-38-8McN-1589835XO5W69HDTXSID008653933,4-Dimethoxy-N-(1-methyl-2-pyrrolidinylidene)benzeneethanamineRefChem:159135DTXCID70813806N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imineBenzeneethanamine, 3,4-dimethoxy-N-(1-methyl-2-pyrrolidinylidene)-
Show more names
2-((3,4-Dimethoxyphenethyl)imino)-1-methylpyrrolidine2-[(3,4-Dimethoxyphenethyl)imino]-1-methylpyrrolidineMixidine [USAN:INN]Mixidinum [INN-Latin]Mixidina [INN-Spanish]UNII-835XO5W69HMcN 1589MIXIDINE [USAN]
Database identifiers
- CAS
27737-38-8- PubChem CID
- 34003
- DTXSID
DTXSID00865393- ChEMBL
CHEMBL75797- UNII
- 835XO5W69H
- Nikkaji
- J10.408F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 405.754 · 405.754±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.08 · 1.080±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.497 · 12.497±0.20(predicted)
- FDA UNII
- 835 XO5W69H · 835XO5W69H
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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