N(1)-methyl-2-iodo-lysergic acid diethylamide

(6aR,9R)-N,N-diethyl-5-iodo-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

Also Known As: N-Methyl-2-iodo-lsd|2-I-Mil|N(1)-Methyl-2-iodo-lysergic acid diethylamide|KST-1A0116|N1-Methyl-2-iodolysergic acid diethylamide|(8|A)-n,n-diethyl-2-iodo-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide|9,10-Didehydro-N,N-diethyl-1,6-dimethyl-2-iodoergoline-8beta-carboxamide|N,N-Diethyl-2-iodo-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide|N,N-Diethyl-2-iodo-1,6-dimethyl-9,10-didehydroergoline-8beta-carboxamide|(4R,7R)-N,N-diethyl-10-iodo-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide|(6aR,9R)-N,N-diethyl-5-iodo-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide|Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-2-(iodo-125I)-1,6-dimethyl-, (8beta)-

Molecular Formula	C21H26IN3O
Molecular Weight	463.11206 g/mol
LogP	3.6
Topological Polar Surface Area	28.5 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	463.11206
Monoisotopic Mass	463.11206
Heavy Atoms	26
Complexity	590.0

Chemical Identifiers

CAS Number	5334-11-2
SMILES	CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(N(C4=CC=CC(=C34)C2=C1)C)I)C
InChIKey	TWQOQCUIXUGDKO-FZKQIMNGSA-N