(-)-Bicuculline methiodide

(6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide

Also Known As: Bicuculline methiodide|josamycin|(-)-BICUCULLINE METHIODIDE|EX-A12340|(6S)-6-[(5R)-6,6-Dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;iodide|N-methyl-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-imine|1,3-Dioxolo(4,5-g)isoquinolinium, 5-((6S)-6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5R)-|1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6S)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-,iodide (1:1), (5R)-|(5R)-5-[(6S)-6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium Iodide|(5R)-6,6-Dimethyl-5-[(6S)-8-oxo-6,8-dihydro-2H-furo[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide|(6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide|6,6-Dimethyl-5-(8-oxo-6,8-dihydro-2H-furo[3,4-e][1,3]benzodioxol-6-yl)-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide

Molecular Formula	C21H20INO6
Molecular Weight	509.03354 g/mol
LogP	-0.2667
Topological Polar Surface Area	63.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	509.03354
Monoisotopic Mass	509.03354
Heavy Atoms	29
Complexity	655.0

Chemical Identifiers

CAS Number	55950-08-8
SMILES	C[N+]1(CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]
InChIKey	HKJKCPKPSSVUHY-VOMIJIAVSA-M