[3H]LSD   

GtoPdb Ligand ID: 219

Synonyms: [3H]lysergic acid diethylamide | [3H]lysergide | [3H]N,N-diethyllysergamide
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 39.34
Molecular weight 323.2
XLogP 2.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
Isomeric SMILES CCN(C(=O)[C@H]1CN([C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C([3H])([3H])[3H])CC
InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1/i3T3
InChI Key VAYOSLLFUXYJDT-QZGBZKRISA-N
Classification
Compound class Synthetic organic
IUPAC Name
(6aR,9R)-N,N-diethyl-7-(tritritiomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Synonyms
[3H]lysergic acid diethylamide | [3H]lysergide | [3H]N,N-diethyllysergamide
Database Links
ChEMBL Ligand CHEMBL463207
GtoPdb PubChem SID 135651170
PubChem CID 44559100
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