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English
Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
chemical compound
2-Amino-7-(1-methylethyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid ethyl ester
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
326.347
dalton
1 reference
stated in
RCSB protein data bank
PDB ligand ID
E0P
language of work or name
English
retrieved
16 February 2021
chemical formula
C₁₈H₁₈N₂O₄
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canonical SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(C)C)N
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Identifiers
InChI
InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)
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InChIKey
PFDJAEKKGJFCNL-UHFFFAOYSA-N
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CAS Registry Number
68301-99-5
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PubChem CID
12852091
1 reference
matched by identifier from
InChIKey
InChIKey
PFDJAEKKGJFCNL-UHFFFAOYSA-N
UniChem compound ID
12164883
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70511476
1 reference
matched by identifier from
InChIKey
InChIKey
PFDJAEKKGJFCNL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80462283
0 references
PDB ligand ID
E0P
0 references
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