METOCURINE IODIDE

(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene diiodide

CAS: 7601-55-0

Molecular Formula	`C40H48I2N2O6`
Molecular Weight	906.6 g/mol
Topological Polar Surface Area	55.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	906.16016
Heavy Atoms	50
Complexity	1060.0

Chemical Identifiers

CAS Number	7601-55-0
SMILES	`C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-]`
InChIKey	`DIGFQJFCDPKEPF-OIUSMDOTSA-L`

📖 Product Overview

METOCURINE IODIDE (CAS: 7601-55-0) is a chemical compound with molecular formula C40H48I2N2O6 and molecular weight 906.6 g/mol. Its IUPAC systematic name is (1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene diiodide. Topological Polar Surface Area 55.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 906.16016 Heavy Atoms 50 Complexity 1060.0 InChI Key: DIGFQJFCDPKEPF-OIUSMDOTSA-L. SMILES: C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-].

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