Basic information
- CAS
24360-55-2- Standard SMILES
COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4OC)CC3)c2cc1OC- InChIKey
XYAANYFFYIRFND-UHFFFAOYSA-N- Molecular formula
- C24H31N3O3
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.23654186
Overview
structure
Names & identifiers
- Preferred name
- Milipertine
- IUPAC
- 5,6-dimethoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1H-indole
- English name
- Milipertine
- Molecular formula
- C24H31N3O3
- Molecular weight
- 409.52
Names & synonyms
MILIPERTINE24360-55-2MilipertinumMilipertinaWin 18,935WIN-18935WX1V67H28TDTXSID001791045,6-dimethoxy-3-(2-(4-o-methoxyphenyl-1-piperazinyl)-ethyl)-2-methylindole hemitar trateRefChem:925894DTXCID901015955,6-dimethoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1H-indole
Show more names
5,6-Dimethoxy-3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-2-methyl-1H-indole1H-Indole, 5,6-dimethoxy-3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-2-methyl-
5,6-Dimethoxy-3-(2-(4-(o-methoxyphenyl)-1-piperazinyl)ethyl)-2-methylindole1H-Indole, 5,6-dimethoxy-3-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2-methyl-5,6-dimethoxy-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-2-methyl-1H-indoleMilipertine [USAN:INN]Milipertinum [INN-Latin]Milipertina [INN-Spanish]UNII-WX1V67H28TWin 18935
Database identifiers
- CAS
24360-55-2- PubChem CID
- 32345
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 50 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Boiling point
- 584.5 · 584.5±50.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 17.79 · 17.79±0.30(Predicted)
- FDA UNII
- 1 V67H28T · WX1V67H28T
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers2 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…