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(Q82934989)
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English
3-(But-3-en-1-yl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
chemical compound
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
quinolizidine alkaloid
1 reference
inferred from
quinolizidine alkaloid
mass
248.188863388
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₄N₂O
0 references
canonical SMILES
O=C1N2CC3CN(CCC=C)CC(C3)C2CCC1
0 references
isomeric SMILES
C=CCCN1CC2CC(C1)[C@H]1CCCC(=O)N1C2
0 references
Identifiers
InChI
InChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2/t12?,13?,14-/m1/s1
0 references
InChIKey
OKTIETCHYDTVGN-JXQTWKCFSA-N
0 references
CAS Registry Number
3382-84-1
0 references
PubChem CID
3083799
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OKTIETCHYDTVGN-JXQTWKCFSA-N
UniChem compound ID
67304421
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60955406
1 reference
matched by identifier from
InChIKey
InChIKey
OKTIETCHYDTVGN-JXQTWKCFSA-N
DSSTOX compound identifier
DTXCID001383401
0 references
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