beta-Erythroidine methiodide

(1S,16R)-16-methoxy-10-methyl-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one iodide

CAS: 6045-43-8

Molecular Formula	`C17H22INO3`
Molecular Weight	415.27 g/mol
Topological Polar Surface Area	35.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	415.06445
Heavy Atoms	22
Complexity	603.0

Chemical Identifiers

CAS Number	6045-43-8
SMILES	`C[N+]12CCC3=C(C14CC(C=CC4=CC2)OC)CC(=O)OC3.[I-]`
InChIKey	`XDUBLLNDXSJBCG-DLAMFZBISA-M`

📖 Product Overview

beta-Erythroidine methiodide (CAS: 6045-43-8) is a chemical compound with molecular formula C17H22INO3 and molecular weight 415.27 g/mol. Its IUPAC systematic name is (1S,16R)-16-methoxy-10-methyl-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one iodide. Topological Polar Surface Area 35.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 415.06445 Heavy Atoms 22 Complexity 603.0 InChI Key: XDUBLLNDXSJBCG-DLAMFZBISA-M. SMILES: C[N+]12CCC3=C(C14CC(C=CC4=CC2)OC)CC(=O)OC3.[I-].

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