[125I]LSD   Click here for help

GtoPdb Ligand ID: 261

Synonyms: [125I]lysergamid | [125I]lysergic acid diethylamide | [125I]lysergide | [125I]N,N-diethyllysergamide
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 39.34
Molecular weight 449.1
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)I)CC
Isomeric SMILES CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)[125I])CC
InChI InChI=1S/C20H24IN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1/i21-2
InChI Key OBCUQRYIGTWROI-YUPRZBKSSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4R,7R)-N,N-diethyl-10-(125I)iodo-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
Synonyms Click here for help
[125I]lysergamid | [125I]lysergic acid diethylamide | [125I]lysergide | [125I]N,N-diethyllysergamide
Database Links Click here for help
GtoPdb PubChem SID 135651112
PubChem CID 73754990
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