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English
8-Methyl-1-propylergoline
group of stereoisomers with the chemical formula C₁₈H₂₄N₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
268.193948768
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₄N₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCn1cc2c3c(cccc31)C1CC(C)CNC1C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCn1cc2c3c(cccc31)C1C[C@@H](C)CN[C@@H]1C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H24N2/c1-3-7-20-11-13-9-16-15(8-12(2)10-19-16)14-5-4-6-17(20)18(13)14/h4-6,11-12,15-16,19H,3,7-10H2,1-2H3/t12-,15?,16-/m1/s1
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InChIKey
BPIPCCOMTYADJH-IATLWXBXSA-N
0 references
CAS Registry Number
98931-08-9
0 references
PubChem CID
3062778
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66158504
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10912983
0 references
DSSTOX compound identifier
DTXCID401341996
0 references
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