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English
6-Methyl-8-(1-methyl-1H-pyrazol-3-yl)ergoline
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
306.184446704
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂N₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1CC(c2ccn(C)n2)CC2c3cccc4[nH]cc(c34)CC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C[C@H](c2ccn(C)n2)CC2c3cccc4[nH]cc(c34)C[C@H]21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H22N4/c1-22-11-13(16-6-7-23(2)21-16)8-15-14-4-3-5-17-19(14)12(10-20-17)9-18(15)22/h3-7,10,13,15,18,20H,8-9,11H2,1-2H3/t13-,15?,18-/m1/s1
0 references
InChIKey
RHODJOABWUAPEL-JGNDPHQUSA-N
0 references
CAS Registry Number
116979-29-4
0 references
PubChem CID
3088101
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
29511437
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70922225
0 references
DSSTOX compound identifier
DTXCID401351111
0 references
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