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(Q82997306)
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English
2-Cyano-3-(2,6-dimethylergolin-8-yl)propanimidic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
336.195011388
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄N₄O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1[nH]c2cccc3c2c1CC1C3CC(CC(C#N)C(=N)O)CN1C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@@H](CC(C#N)C(N)=O)CN1C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H24N4O/c1-11-15-8-18-16(14-4-3-5-17(23-11)19(14)15)7-12(10-24(18)2)6-13(9-21)20(22)25/h3-5,12-13,16,18,23H,6-8,10H2,1-2H3,(H2,22,25)/t12-,13?,16?,18-/m1/s1
0 references
InChIKey
MKLQDQUHRCAKKI-ZJZIODQPSA-N
0 references
CAS Registry Number
82842-19-1
0 references
PubChem CID
3068055
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49503482
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701002947
0 references
DSSTOX compound identifier
DTXCID801429875
0 references
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