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English
8-[(2-Ethyl-1H-imidazol-1-yl)methyl]-6-methylergoline
group of stereoisomers with the chemical formula C₂₁H₂₆N₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
334.21574683200004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆N₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCc1nccn1CC1CC2c3cccc4[nH]cc(c34)CC2N(C)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCc1nccn1C[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H26N4/c1-3-20-22-7-8-25(20)13-14-9-17-16-5-4-6-18-21(16)15(11-23-18)10-19(17)24(2)12-14/h4-8,11,14,17,19,23H,3,9-10,12-13H2,1-2H3/t14-,17?,19-/m1/s1
0 references
InChIKey
MTKJHNAAXUYMMC-LJMFKLJISA-N
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CAS Registry Number
105579-51-9
0 references
PubChem CID
3064759
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
27504588
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80909608
0 references
DSSTOX compound identifier
DTXCID001338670
0 references
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