F8M

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Summary

Name:2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
Synonyms:7-[3-(dimethylamino)propyl] Analog of Amlexanox
Formula:C18 H19 N3 O4
Formal charge:0
Molecular weight:341.361 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
OpenEye OEToolkits2.0.62-azanyl-7-[3-(dimethylamino)propyl]-5-oxidanylidene-chromeno[2,3-b]pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)CCCc3ccc1c(C(c2c(O1)nc(c(c2)C(O)=O)N)=O)c3
InChIInChI1.03InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)
InChIKeyInChI1.03UFHZMIKXSGTKFX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCc1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O
SMILESCACTVS3.385CN(C)CCCc1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O
SMILESOpenEye OEToolkits2.0.6CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O
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