Ergocornine mesylate

(6aR,9R)-N-[(1S,2S,4R,7R)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid

Also Known As: Ergocornine mesylate|Ergocornine methanesulfonate|Ergocornine methanesulphonate|Ergocornine methanesulfonate (salt)|ERGOCORNINE, METHANESULFONATE|Ergocornine, monomethanesulfonate (salt)|ERGOCORNINE, METHANESULFONATE (SALT)|12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione methanesulphonate|12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulphonate|Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-, methanesulfonate (salt)|Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'.alpha.)-, monomethanesulfonate (salt)|12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione monomethanesulfonate|ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2',5'-BIS(1-METHYLETHYL)-, (5'.ALPHA.)-, METHANESULFONATE (SALT)

Molecular Formula	C32H43N5O8S
Molecular Weight	657.28326 g/mol
LogP	1.5442
Topological Polar Surface Area	181.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	657.28326
Monoisotopic Mass	657.28326
Heavy Atoms	46
Complexity	1270.0

Chemical Identifiers

CAS Number	2207-69-4
SMILES	CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O
InChIKey	JSSWJSBXBKEBMS-JDFJKJGNSA-N