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Pipobroman

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Identification
Molecular formula
C10H16Br2N2O2
CAS number
54-91-1
IUPAC name
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide
State
State

At room temperature, pipobroman is typically found as a solid, with a white to off-white coloration due to its crystalline nature. Being a solid compound, it does not easily transition to liquid without reaching its melting point.

Melting point (Celsius)
281.00
Melting point (Kelvin)
554.15
Boiling point (Celsius)
273.00
Boiling point (Kelvin)
546.15
General information
Molecular weight
626.43g/mol
Molar mass
626.4290g/mol
Density
1.8849g/cm3
Appearence

Pipobroman typically appears as a crystalline solid. It may present as a white to off-white substance depending on the purity and specific form of the compound. The solid is usually in the form of distinct crystals or a crystalline powder.

Comment on solubility

Solubility of the Compound

The solubility of the compound (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate; dibromide can generally be characterized by its interactions with various solvents. Factors influencing solubility include:

  • Polarity: This compound contains both hydrophilic and hydrophobic regions due to its acetoxy and piperidin-ium groups. As a result, it may dissolve better in polar solvents like water or alcohol, alongside non-polar solvents.
  • Temperature: Solubility often increases with temperature; therefore, evaluating the solubility of this compound at varying thermal conditions is crucial.
  • pH levels: Being a quaternary ammonium compound, the solubility may also be influenced by the acidity or basicity of the solution.

In practice, one might observe that:

  • The compound is likely to exhibit reasonable solubility in dimethyl sulfoxide (DMSO) or other polar aprotic solvents.
  • It may show limited solubility in less polar solvents due to the presence of bulky hydrophobic groups which can hinder interactions.
  • Certain concentrations may lead to precipitation, indicating a threshold for solubility.

Overall, to better understand the solubility behavior of this intriguing compound, empirical data from experiments would be essential, as "theoretical predictions" may not always hold true in practical applications.

Interesting facts

Interesting Facts about 17-Acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl) Compound

This compound, notable for its complex structure and unique functionalities, presents a fascinating subject of study in the field of organic chemistry. Its intricate architecture reflects the diversity achievable in organic synthesis and molecular design.

Structural Insights

  • Multi-ring System: The compound features a tetradecahydro-1H-cyclopenta[a]phenanthrene backbone, illustrating the blending of multiple cycloalkane units, which contributes to its unique steric and electronic properties.
  • Piperidine Units: The presence of bis(1-methylpiperidin-1-ium-1-yl) indicates a role in potential medicinal applications, as piperidine derivatives are often explored for their biological activities.
  • Acetoxy Group: The acetoxy group is known for enhancing solubility and bioavailability, which is critical in pharmaceutical chemistry, enabling the compound to exert its effects efficiently.

Potential Applications

Given its structure, this compound may have implications in various fields:

  • Pharmacology: With its complex molecular arrangement, it could serve as a lead compound for developing novel therapeutic agents, particularly in the realm of neuropharmacology.
  • Material Science: The unique physical and chemical properties of this compound open avenues for explorations in materials engineering and nanotechnology.
  • Supramolecular Chemistry: The ability of the piperidine units to participate in host-guest chemistry could lead to interesting applications in the development of molecular sensors or catalysts.

Cyclic Structures in Chemistry

The study of cyclic structures like those found in this compound is crucial because:

  1. They often exhibit unique reactivity patterns that are not present in their acyclic counterparts.
  2. Cyclic compounds can engage in specific interactions due to their defined geometry.
  3. They are essential in the design of drugs that mimic natural biological compounds, leading to targeted therapies with reduced side effects.

In summary, the compound demonstrates how the intricacies of molecular architecture can lead to a multitude of applications and insights in both medicinal and synthetic chemistry. As we explore such compounds, we unveil the potential for innovation in various scientific domains.

Synonyms
PANCURONIUM BROMIDE
Pancuronium dibromide
15500-66-0
Mioblock
Bromuro de pancuronio
Bromure de pancuronium
Pancuronii bromidum
bromurex
ORG NA 97
ORG-NA 97
ORG-NA-97
CHEBI:7908
U9LY9Y75X2
NA 97
3alpha,17beta-Diacetoxy-2beta,16beta-dipiperidino-5alpha-androstane dimethobromide
2beta,16beta-Dipiperidino-5alpha-androstane-3alpha,17beta-diol diacetate dimethobromide
NSC-293162
DTXSID9023415
3-alpha,17-beta-Diacetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstane dimethobromide
5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, diacetate
Piperidinium, 1,1'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide
Piperidinium, 1,1'-(3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methyl-, dibromide, diacetate
Bromide, Pancuronium
pancuronium (cation)
3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane dibromide
Piperidinium, 1,1'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl)-, dibromide
NSC293162
panchronio bromuro
M03AC01
DTXCID101768515
1,1'-(3alpha,17beta-Diacetoxy-5alpha-androstan-2beta,16beta-diyl)bis(1-methylpiperidinium) dibromide
239-532-5
Pavulon
Pancuronium (dibromide)
MFCD00079223
Bromure de pancuronium [INN-French]
Bromuro de pancuronio [INN-Spanish]
15500-66-0 (bromide)
1,1'-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium) bromide
(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane dibromide
C35H60Br2N2O4
HSDB 3244
Pancuronii bromidum [INN-Latin]
EINECS 239-532-5
NSC 293162
UNII-U9LY9Y75X2
1,1'-([2beta,3alpha,5alpha,16beta,17beta]-3,17-Bis[acetyloxy]androstane-2,16-diyl)bis(1-methylpiperidinium) dibromide
1,1'-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(Acetyloxy)androstane-2,16-diyl]bis(1-methylpiperidinium) dibromide
Pavulon (TN)
NCGC00163232-01
Pancuronium bromide [USAN:USP:INN:BAN:JAN]
CAS-15500-66-0
1,1'-(3,17-Bis(acetyloxy)androstane-2,16-diyl)bis(1-methylpiperidinium) dibromide
2beta,16beta-Dipiperidino-5alpha-androstane-3alpha,17beta-dioldiacetatedimethobromide
SCHEMBL41185
1,1'-(3alpha,17beta-Bis(acetyloxy)-5alpha-androstane-2beta,16beta-diyl)bis(1-methylpiperidinium) dibromide
1,1'-(3alpha,17beta-Dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methylpiperidinium) dibromide diacetate
Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, diacetate
DTXCID403415
orb1310878
CHEMBL1200757
PANCURONIUM BROMIDE [MI]
HY-B0429R
PANCURONIUM BROMIDE [INN]
PANCURONIUM BROMIDE [JAN]
Vecuronium Bromide EP Impurity B
NPIJXCQZLFKBMV-YTGGZNJNSA-L
GLXC-03040
HMS1571O09
HMS2098O09
HMS3262B16
HMS3715O09
HMS3884P21
PANCURONIUM BROMIDE [HSDB]
PANCURONIUM BROMIDE [USAN]
PANCURONIUM BROMIDE [VANDF]
HY-B0429
Pancuronium (dibromide) (Standard)
PANCURONIUM BROMIDE [MART.]
Tox21_112033
Tox21_500887
PANCURONIUM BROMIDE [USP-RS]
PANCURONIUM BROMIDE [WHO-DD]
s2497
AKOS037515715
Pancuronium bromide (JP18/USP/INN)
CCG-221034
CCG-222191
FB26747
LP00887
NCGC00261572-01
PANCURONIUM BROMIDE [ORANGE BOOK]
BS-15969
PANCURONIUM BROMIDE [EP MONOGRAPH]
PANCURONIUM BROMIDE [USP MONOGRAPH]
EU-0100887
A12098
D00492
P 1918
SR-01000000127
SR-01000076059
SR-01000000127-3
SR-01000076059-1
Q27107612
Pancuronium bromide, European Pharmacopoeia (EP) Reference Standard
Pancuronium bromide, United States Pharmacopeia (USP) Reference Standard
VECURONIUM BROMIDE IMPURITY, PANCURONIUM BROMIDE- [USP IMPURITY]
Pancuronium bromide for system suitability, European Pharmacopoeia (EP) Reference Standard
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-Acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;bromide
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide
1,1'-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-Diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium) bromi
1,1'-(3.ALPHA.,17.BETA.-DIHYDROXY-5.ALPHA.-ANDROSTAN-2.BETA.,16.BETA.-YLENE)BIS(1-METHYLPIPERIDINIUM)DIBROMIDE DIACETATE
1,1'-(3alpha,17beta-Dihydroxy-2beta,5alpha-androstan-2beta,16beta-ylene) bis[1-methylpiperidinium] diacetate dibromide
2.beta.,16.beta.-Dipiperidino-5.alpha.-androstane-3.alpha.,17.beta.-diol diacetate dimethobromide
Mioblock;1,1'-[(2?,3?,5?,16?,17?)-3,17-Bis(acetyloxy)androstane-2,16-diyl]bis(1-methylpiperidinium) dibromide
PIPERIDINIUM, 1,1'-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)ANDROSTANE-2,16-DIYL)BIS(1-METHYL)-, DIBROMIDE