Selmid

N-ethylethanamine;methyl (1S,4R,5R,9R,10R,12R,13R,17R)-15-(diethylaminomethyl)-9-methyl-14,16-dioxo-18-propan-2-yl-15-azapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylate

Also Known As: SELMID|Diethylaminomethylmaleopimaric acid imide diethylamine salt|3b,11-Etheno-3bH-naphth(2,1-e)isoindole-6-carboxylic acid,2-((diethylamino)methyl)-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-6,9a-dimethyl-12-(1-methylethyl)-1,3-dioxo-, (3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-, compd. with N-ethylethanamine (1:1)|Methyl (3aR,3bS,5aR,6R,9aR,9bR,11R,11aR)-2-[(diethylamino)methyl]-9a-methyl-1,3-dioxo-13-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylate--N-ethylethanamine (1/1)|Methyl 2-[(diethylamino)methyl]-9a-methyl-1,3-dioxo-13-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylate--N-ethylethanamine (1/1)

Molecular Formula	C33H55N3O4
Molecular Weight	557.41925 g/mol
LogP	5.1106
Topological Polar Surface Area	79.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	557.41925
Monoisotopic Mass	557.41925
Heavy Atoms	40
Complexity	950.0

Chemical Identifiers

CAS Number	70985-43-2
SMILES	CCNCC.CCN(CC)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@]5(CCC[C@H]([C@H]5CC[C@]4([C@@H]2C1=O)C(=C3)C(C)C)C(=O)OC)C
InChIKey	XLKJYRJFUMVDQI-QKQQEJIJSA-N