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English
N-[(1,6-Dimethylergolin-8-yl)methyl]-2-methylpropanimidic acid
group of stereoisomers with the chemical formula C₂₁H₂₉N₃O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
339.231062548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₉N₃O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)C(O)=NCC1CC2c3cccc4c3c(cn4C)CC2N(C)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C(=O)NC[C@@H]1CC2c3cccc4c3c(cn4C)C[C@H]2N(C)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H29N3O/c1-13(2)21(25)22-10-14-8-17-16-6-5-7-18-20(16)15(12-24(18)4)9-19(17)23(3)11-14/h5-7,12-14,17,19H,8-11H2,1-4H3,(H,22,25)/t14-,17?,19+/m0/s1
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InChIKey
XLAFTMYBZIKQER-AHMQINRISA-N
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CAS Registry Number
2394-77-6
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PubChem CID
200630
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56256573
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50946762
0 references
DSSTOX compound identifier
DTXCID501375037
0 references
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