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English
8-[(1H-Imidazol-1-yl)methyl]-6-propylergoline
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
334.215746832
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆N₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCN1CC(Cn2ccnc2)CC2c3cccc4[nH]cc(c34)CC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCN1C[C@H](Cn2ccnc2)CC2c3cccc4[nH]cc(c34)C[C@H]21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H26N4/c1-2-7-25-13-15(12-24-8-6-22-14-24)9-18-17-4-3-5-19-21(17)16(11-23-19)10-20(18)25/h3-6,8,11,14-15,18,20,23H,2,7,9-10,12-13H2,1H3/t15-,18?,20+/m0/s1
0 references
InChIKey
UGFOWUCPSMBXHL-BEHPGTHXSA-N
0 references
CAS Registry Number
160730-60-9
0 references
PubChem CID
3074683
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62343184
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90936384
0 references
DSSTOX compound identifier
DTXCID401364992
0 references
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