8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline
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Basic information
- CAS
56552-51-3- Standard SMILES
COc1ccc(N2CCN(CC3CC4c5cccc6[nH]cc(c56)CC4N(C)C3)CC2)cc1- InChIKey
TZAGFHFRNZSDBY-UHFFFAOYSA-N- Molecular formula
- C27H34N4O
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.27326172
Overview
dopamine receptor agonist; RN given refers to (8alpha)-isomer
Names & identifiers
- Preferred name
- 8-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline
- IUPAC
- 9-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
- English name
- 8-((4-(4-methoxyphenyl)-1-piperazinyl)methyl)-6-methylergoline
- Molecular formula
- C27H34N4O
- Molecular weight
- 430.59
Names & synonyms
Ptr-1740256552-51-38-((4-(4-Methoxyphenyl)-1-piperazinyl)methyl)-6-methylergolineRefChem:106789Ergoline, 8-((4-(methoxyphenyl)-1-piperazinyl)methyl)-6-methyl-, (8alpha)-DTXSID909719928-{[4-(4-Methoxyphenyl)piperazin-1-yl]methyl}-6-methylergolineMPMEErgoline, 8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-6-methyl-, (8α)- (9CI)
Database identifiers
- CAS
56552-51-3- PubChem CID
- 3085111
- DTXSID
DTXSID90971992
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
Physicochemical properties
- Boiling point
- 631.3 · 631.3±55.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 17.57 · 17.57±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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