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English
2-Bromo-8-[(1H-imidazol-1-yl)methyl]-6-methylergoline
group of stereoisomers with the chemical formula C₁₉H₂₁BrN₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
384.09495877200004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₁BrN₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1CC(Cn2ccnc2)CC2c3cccc4[nH]c(Br)c(c34)CC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C[C@H](Cn2ccnc2)CC2c3cccc4[nH]c(Br)c(c34)C[C@H]21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H21BrN4/c1-23-9-12(10-24-6-5-21-11-24)7-14-13-3-2-4-16-18(13)15(8-17(14)23)19(20)22-16/h2-6,11-12,14,17,22H,7-10H2,1H3/t12-,14?,17-/m1/s1
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InChIKey
NYGLOGCAOZGGCH-ZYFOBHMOSA-N
0 references
CAS Registry Number
160730-55-2
0 references
PubChem CID
3074680
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
46742162
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10936381
0 references
DSSTOX compound identifier
DTXCID701364989
0 references
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