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(Q83002845)
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English
4-Ethyl-4-hydroxy-6-oxo-1H-6lambda~5~-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
364.105921612
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₁₆N₂O₅
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canonical SMILES
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3[n+]([O-])c2-1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5[N+](=C4C3=C2)[O-])O
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Identifiers
InChI
InChI=1S/C20H16N2O5/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)22(17)26)9-21(16)18(23)13(14)10-27-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
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InChIKey
QOJFTZYHCMXUHG-FQEVSTJZSA-N
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CAS Registry Number
86639-48-7
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PubChem CID
267497
1 reference
matched by identifier from
InChIKey
InChIKey
QOJFTZYHCMXUHG-FQEVSTJZSA-N
UniChem compound ID
29753421
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501006981
1 reference
matched by identifier from
InChIKey
InChIKey
QOJFTZYHCMXUHG-FQEVSTJZSA-N
DSSTOX compound identifier
DTXCID201433844
0 references
NSC number
106748
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