[11C]DTBZ   

GtoPdb Ligand ID: 4608

Synonyms: [11C]-DTBZ  | [11C]-DTBZ (PET ligand) | dihydrotetrabenazine
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 41.93
Molecular weight 330.21
XLogP 3.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2c(cc1O[C])CCN1C2(C)CC(O)C(C1)CC(C)C
Isomeric SMILES COc1cc2c(cc1O[11C])CCN1[C@@]2(C)C[C@H](O)[C@H](C1)CC(C)C
InChI InChI=1S/C20H28NO3/c1-13(2)8-15-12-21-7-6-14-9-18(23-4)19(24-5)10-16(14)20(21,3)11-17(15)22/h9-10,13,15,17,22H,6-8,11-12H2,1-3,5H3/t15-,17-,20-/m0/s1/i4-1
InChI Key LCUNKBCUJJTZNQ-VEFADGFBSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel