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(Q82937001)
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English
Methyl 6-methylergoline-8-carboxylate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
284.15247788
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1CC2c3cccc4[nH]cc(c34)CC2N(C)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H20N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-5,8,11,13,15,18H,6-7,9H2,1-2H3/t11?,13-,15-/m1/s1
0 references
InChIKey
OSKZYLPFYNARRX-IIWDCPNDSA-N
0 references
CAS Registry Number
35470-53-2
0 references
PubChem CID
12727276
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55214285
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20956878
0 references
DSSTOX compound identifier
DTXCID501384830
0 references
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