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XOP

Summary
Name:8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE
Formula:C14 H20 N O3 P
Formal charge:0
Formula weight:281.287 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydrogen (R)-phenylphosphonite
OpenEye OEToolkits1.6.1[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenyl-phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OP(OC2CC1N(C)C(CC1)C2)c3ccccc3
SMILES_CANONICALCACTVS3.352CN1[C@@H]2CC[C@H]1CC(C2)O[P](O)(=O)c3ccccc3
SMILESCACTVS3.352CN1[CH]2CC[CH]1CC(C2)O[P](O)(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.6.1CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O
SMILESOpenEye OEToolkits1.6.1CN1C2CCC1CC(C2)OP(=O)(c3ccccc3)O
InChIInChI1.03InChI=1S/C14H20NO3P/c1-15-11-7-8-12(15)10-13(9-11)18-19(16,17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,16,17)/t11-,12+,13+
InChIKeyInChI1.03DUXLOXDDMDLSLH-ITGUQSILSA-N

221051

PDB entries from 2024-06-12

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