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English
2-Cyano-3-[6-(cyclopropylmethyl)ergolin-8-yl]propanimidic acid
group of stereoisomers with the chemical formula C₂₂H₂₆N₄O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
362.210661452
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₆N₄O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N#CC(CC1CC2c3cccc4[nH]cc(c34)CC2N(CC2CC2)C1)C(=N)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N#CC(C[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(CC2CC2)C1)C(N)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H26N4O/c23-9-15(22(24)27)6-14-7-18-17-2-1-3-19-21(17)16(10-25-19)8-20(18)26(12-14)11-13-4-5-13/h1-3,10,13-15,18,20,25H,4-8,11-12H2,(H2,24,27)/t14-,15?,18?,20-/m1/s1
0 references
InChIKey
OZDFQZGEYXWSRX-LDTOYTENSA-N
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CAS Registry Number
82842-21-5
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PubChem CID
3068056
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
61869208
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401002948
0 references
DSSTOX compound identifier
DTXCID501429876
0 references
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