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English
Ethyl 1-[(6-methylergolin-8-yl)methyl]-1H-imidazole-4-carboxylate
group of stereoisomers with the chemical formula C₂₂H₂₆N₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
378.20557607200004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₆N₄O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)c1cn(CC2CC3c4cccc5[nH]cc(c45)CC3N(C)C2)cn1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)c1cn(C[C@@H]2CC3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)cn1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H26N4O2/c1-3-28-22(27)19-12-26(13-24-19)11-14-7-17-16-5-4-6-18-21(16)15(9-23-18)8-20(17)25(2)10-14/h4-6,9,12-14,17,20,23H,3,7-8,10-11H2,1-2H3/t14-,17?,20-/m1/s1
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InChIKey
PVYNLMLETYEFRP-LOPWJBSJSA-N
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CAS Registry Number
160730-44-9
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PubChem CID
3074672
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57083067
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80936373
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DSSTOX compound identifier
DTXCID101364981
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