2-Iodolysergic acid diethylamide structure

2-Iodolysergic acid diethylamide

(6aR,9R)-N,N-diethyl-5-iodo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Also Known As: Iodo-lsd|2-Iodolysergic acid diethylamide|2-Iodo-LSD|2-iodolysergicaciddiethylamide|[125I]-2-Iodo-LSD|[125I]LSD|D-(+)-N1-Ethyl-2-iodolysergic acid diethylamide|N,N-Diethyl-2-iodo-6-methyl-9,10-didehydroergoline-8-carboxamide|(6aR,9R)-N,N-diethyl-5-iodo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide|N,N-Diethyl-2-iodo-6-methyl-9,10-didehydroergoline-8beta-carboxamide|Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-2-iodo-6-methyl-, (8beta)-

CAS: 3712-25-2
Molecular Formula C20H24IN3O
Molecular Weight 449.0964 g/mol
LogP 3.6
Topological Polar Surface Area 39.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 3
Exact Mass 449.0964
Monoisotopic Mass 449.0964
Heavy Atoms 25
Complexity 561.0

Chemical Identifiers

CAS Number 3712-25-2
SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)C2=C1)I)C
InChIKey OBCUQRYIGTWROI-SJKOYZFVSA-N

Product Overview

2-Iodolysergic acid diethylamide (CAS 3712-25-2), with molecular formula C20H24IN3O and molecular weight 449.0964 g/mol. IUPAC: (6aR,9R)-N,N-diethyl-5-iodo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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