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English
Methyl 13a-ethyl-4-oxo-1,2,3,4,5,6,13a,13b-octahydro-4lambda~5~-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
group of stereoisomers with the chemical formula C₂₁H₂₄N₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
352.17869262799996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC12C=C(C(=O)OC)n3c4c(c5ccccc53)CC[N+]([O-])(CCC1)C42
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@@]12C=C(C(=O)OC)n3c4c(c5ccccc53)CC[N+]([O-])(CCC1)[C@H]42
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H24N2O3/c1-3-21-10-6-11-23(25)12-9-15-14-7-4-5-8-16(14)22(18(15)19(21)23)17(13-21)20(24)26-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+,23?/m1/s1
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InChIKey
SAXKMTQLGOCFSU-SZUFIYSYSA-N
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CAS Registry Number
51442-61-6
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PubChem CID
3039952
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67407549
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30965759
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DSSTOX compound identifier
DTXCID501393421
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