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English
8-[(Methanesulfonyl)methyl]-6-propylergoline
group of stereoisomers with the chemical formula C₁₉H₂₆N₂O₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
346.171499072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₆N₂O₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCN1CC(CS(C)(=O)=O)CC2c3cccc4[nH]cc(c34)CC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCN1C[C@H](CS(C)(=O)=O)CC2c3cccc4[nH]cc(c34)C[C@H]21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H26N2O2S/c1-3-7-21-11-13(12-24(2,22)23)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16?,18-/m1/s1
0 references
InChIKey
BRFHHAXHZFOBNY-DQYPLQBXSA-N
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CAS Registry Number
72822-03-8
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PubChem CID
155750
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24505317
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50993615
0 references
DSSTOX compound identifier
DTXCID401420657
0 references
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