2-bromo-LSD   

GtoPdb Ligand ID: 272

Synonyms: 2-br-LSD | 2-bromolysergic acid diethylamide | bromolysergide
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 401.11
XLogP 3.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)CC
Isomeric SMILES CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)CC
InChI InChI=1S/C20H24BrN3O/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
InChI Key VKRAXSZEDRWLAG-SJKOYZFVSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Synonyms
2-br-LSD | 2-bromolysergic acid diethylamide | bromolysergide
Database Links
ChEMBL Ligand CHEMBL274384
GtoPdb PubChem SID 135649696
PubChem CID 10171
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Wikipedia 2-Bromo-LSD