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92Y

Summary
Name:(1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
Formula:C16 H23 N O
Formal charge:0
Formula weight:245.36 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
OpenEye OEToolkits2.0.6(1~{R},2~{S},3~{R},4~{S})-3-[(dimethylamino)methyl]-1-phenyl-bicyclo[2.2.1]heptan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cccc(c1)C32C(O)C(C(CC2)C3)CN(C)C
InChIInChI1.03InChI=1S/C16H23NO/c1-17(2)11-14-12-8-9-16(10-12,15(14)18)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t12-,14-,15-,16+/m0/s1
InChIKeyInChI1.03HGNFUCJMHJYHIN-QCEMKRCNSA-N
SMILES_CANONICALCACTVS3.385CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3
SMILESCACTVS3.385CN(C)C[CH]1[CH]2CC[C](C2)([CH]1O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3
SMILESOpenEye OEToolkits2.0.6CN(C)CC1C2CCC(C2)(C1O)c3ccccc3

218853

PDB entries from 2024-04-24

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