Basic information
- CAS
134377-22-3- Standard SMILES
CSCC1CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2O1- InChIKey
GYUHVILBXXBZDS-PXFYRTPJSA-N- Molecular formula
- C16H20N2OS
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.12963444
Overview
a dopamine D-2 receptor agonist
Names & identifiers
- Preferred name
- RU 41656
- IUPAC
- (2R,7R)-6-methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
- English name
- RU 41656
- Molecular formula
- C16H20N2OS
- Molecular weight
- 288.41
Names & synonyms
134377-22-3RU 41-656RU-41656RefChem:180127RU 41656(2R,7R)-6-Methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene6-methyl-8-[(methylthio)methyl]-9-oxaergoline
Database identifiers
- CAS
134377-22-3- PubChem CID
- 196868
- Nikkaji
- J448.088K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 483.758 · 483.758±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 17.029 · 17.029±0.40(predicted)
Chemistry & industry
Applications
DescriptionRU 41656 is a a dopaminergic D2 agonist.
UsesRU 41656 partially alleviated triazolam-induced memory impairment but did not counteract the sedative effects of this agent[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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