PTO

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Summary

Name:PSEUDOTROPINE
Formula:C8 H15 N O
Formal charge:0
Molecular weight:141.211 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
OpenEye OEToolkits1.5.0(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC2CC1N(C)C(CC1)C2
SMILES_CANONICALCACTVS3.341CN1[C@H]2CC[C@@H]1CC(O)C2
SMILESCACTVS3.341CN1[CH]2CC[CH]1CC(O)C2
SMILES_CANONICALOpenEye OEToolkits1.5.0CN1[C@H]2CC[C@@H]1CC(C2)O
SMILESOpenEye OEToolkits1.5.0CN1C2CCC1CC(C2)O
InChIInChI1.03InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-
InChIKeyInChI1.03CYHOMWAPJJPNMW-RNLVFQAGSA-N
170172
PDB entries from 2020-10-21