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8-Methylergoline
group of stereoisomers with the chemical formula C₁₅H₁₈N₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
226.146998576
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈N₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CNC2Cc3c[nH]c4cccc(c34)C2C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(c34)C2C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H18N2/c1-9-5-12-11-3-2-4-13-15(11)10(8-17-13)6-14(12)16-7-9/h2-4,8-9,12,14,16-17H,5-7H2,1H3/t9-,12?,14-/m1/s1
0 references
InChIKey
ZYACKOKSHZQYDS-JTKGGMDMSA-N
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CAS Registry Number
63719-23-3
0 references
PubChem CID
3047554
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57596124
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10980162
0 references
DSSTOX compound identifier
DTXCID801407441
0 references
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