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Tetrodotoxin diiodide

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Identification
Molecular formula
C33H47N3O13 • 2I
CAS number
18660-81-6
IUPAC name
(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
State
State

This compound typically exists as a solid under standard conditions of temperature and pressure. It is stable at room temperature when in its solid form.

Melting point (Celsius)
228.00
Melting point (Kelvin)
501.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
538.68g/mol
Molar mass
538.6830g/mol
Density
2.5600g/cm3
Appearence

The compound appears as a crystalline solid. It is typically white or off-white in color. The crystals are generally well-formed and can appear in a highly ordered structure.

Comment on solubility

Solubility of (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

The solubility of this complex compound can be quite intricate due to its unique molecular structure and the presence of iodine. Generally, solubility is influenced by several factors, including:

  • Polarity: The presence of methoxy groups can increase solubility in polar solvents.
  • Ionic Character: The diiodide form suggests ionic interactions, which usually enhance solubility in polar solvents like water.
  • Hydrophobic Regions: The tetramethyl and other hydrophobic portions may impede solubility in highly polar environments.

As a result, one might find that this compound displays:

  • Good solubility in polar organic solvents, such as ethanol or methanol.
  • Limited solubility in non-polar solvents, due to the complex's hydrophobic character.

It is often stated that compounds of similar structure exhibit “solubility behaviors” based on their functional groups. Therefore, empirical testing is essential to comprehensively assess solubility in various conditions.

In summary, the solubility of this compound is multifaceted, impacted significantly by the balance between its polar and non-polar characteristics.

Interesting facts

Interesting Facts About (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

The compound referred to as (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 is a fascinating compound with a complex structure featuring multiple bridges and functional groups. Here are some intriguing points about this compound:

  • Structural Complexity: This compound exemplifies extreme molecular complexity, integrating both diazonium and epoxide functional groups, which can lead to unique chemical reactivity.
  • Spectroscopic Marvel: Its numerous carbon and oxygen atoms, combined with esters and ether functionalities, make it an ideal candidate for advanced spectroscopic techniques like NMR and IR spectroscopy.
  • Potential Applications: With its unique structure, compounds of this type could find applications in organic electronics, particularly in the formulation of light-emitting diodes (LEDs) and photovoltaic devices.
  • Tuning Properties: The introduction of methoxy and iodide groups can significantly affect electronic properties, making it potential for research in photophysics and materials science.
  • Chemical Stability: While the addition of iodine may suggest certain instability, such compounds often exhibit resilience under specific conditions, which can be exploited for stability in various reactions.

This compound challenges both students and chemists alike to delve deeper into its applications and explore its behavior in different chemical environments. Its potential for innovation in material sciences and organic synthesis is both exciting and worthy of rigorous academic exploration.

Synonyms
METOCURINE IODIDE
Metubine iodide
7601-55-0
Dimethylchondrocurarine iodide
Methyl-curarin
O,O'-Dimethylchondrocurarine diiodide
Dimethyltubocurarinium iodide
Dimethylether of d-tubocurarine iodide
Tubocurarine, O,O'-dimethyl-, diiodide
(+)-O,O'-Dimethylchondrocurarine diiodide
EINECS 231-510-3
UNII-O0U0E87X7F
NSC 36388
O0U0E87X7F
DTXSID9022944
NSC-36388
6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraranium diiodide
DTXCID802944
Metocurine iodide [USAN:USP]
13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, diiodide, (13aR-(13aR*,25aS*))-
Metocurini Iodidum
13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, diiodide, (13aR,25aS)-
Metocurine iodide (USAN:USP)
METOCURINE IODIDE (MART.)
METOCURINE IODIDE [MART.]
13H-4,6:21,24-DIETHENO-8,12-METHENO-1H-PYRIDO(3',2':14,15)(1,11)DIOXACYCLOEICOSINO(2,3,4-IJ)ISOQUINOLINIUM, 2,3,13A,14,15,16,25,25A-OCTAHYDRO-9,18,19,29-TETRAMETHOXY-1,1,14,14-TETRAMETHYL-, IODIDE (1:2), (13AR,25AS)-
231-510-3
Dimethyl tubocurarine iodide
Metocurine iodide [USAN]
Tetrandrini dimethiodidum
Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-, diiodide
Metocurine iodide (USAN)
(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
Methyl-curarin [German]
CAS-7601-55-0
Metubine iodide (TN)
NCGC00181151-01
CHEMBL1739
SCHEMBL415745
METOCURINE IODIDE [MI]
CHEBI:6901
METOCURINE IODIDE [VANDF]
DIGFQJFCDPKEPF-OIUSMDOTSA-L
GLXC-23336
Tox21_112755
Tox21_112755_1
DB00416
METOCURINE IODIDE [ORANGE BOOK]
2,2,2',2'-tetramethyl-6,6',7',12'-tetrakis(methyloxy)tubocuraran-2,2'-diium diiodide
NCGC00263444-01
NS00046686
DIMETHYLTUBOCURARINIUM IODIDE [WHO-DD]
D00761
EN300-19767768
Q20817012
Tubocuraranium,6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-,diiodide
(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{18,22}.0^{27,31}.0^{16,34}]hexatriaconta-3,5,8,10,12(34),18(33),19,21,24,26,31,35-dodecaene-15,30-diium diiodide