Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)-

HCID 3064751

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Basic information

CAS: 105579-43-9
Standard SMILES: CN1C[C@H](Cn2ccnc2)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey: DFHYZNDFVDJYAL-DQYPLQBXSA-N
Molecular formula: C19H22N4
Average molar mass: 306.4 g/mol
Monoisotopic mass: 306.18444672

Names & identifiers

Preferred name: Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)-
IUPAC: (6aR,9R)-9-(imidazol-1-ylmethyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

Names & synonyms

Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)-8-(1H-Imidazol-1-ylmethyl)-6-methylergoline (8-beta)-105579-43-9RefChem:339673SCHEMBL10755286DTXSID009096008-[(1H-Imidazol-1-yl)methyl]-6-methylergoline(10xi)-8beta-[(1H-Imidazol-1-yl)methyl]-6-methylergoline

Database identifiers

CAS: 105579-43-9
PubChem CID: 3064751
DTXSID: DTXSID00909600

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 441

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