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(Q83118918)
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English
Ergoline-8-beta-butyramide, alpha-cyano-6-methyl-
group of stereoisomers with the chemical formula C₂₀H₂₄N₄O
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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
CN1CC(CCC(C#N)C(=N)O)CC2c3cccc4[nH]cc(c34)CC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C[C@H](CCC(C#N)C(N)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H24N4O/c1-24-11-12(5-6-13(9-21)20(22)25)7-16-15-3-2-4-17-19(15)14(10-23-17)8-18(16)24/h2-4,10,12-13,16,18,23H,5-8,11H2,1H3,(H2,22,25)/t12-,13?,16-,18-/m1/s1
0 references
InChIKey
BSANINPSAVRRBQ-QDEBQDCESA-N
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CAS Registry Number
88133-18-0
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PubChem CID
56843127
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66503181
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40236841
0 references
DSSTOX compound identifier
DTXCID70159332
0 references
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