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Scopolamine

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Identification
Molecular formula
C17H21NO4
CAS number
51-34-3
IUPAC name
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
State
State
At room temperature, scopolamine usually exists as a solid. However, in pharmaceutical formulations, especially in liquid preparations like injections or patches, it might be in solution form, designed for easy administration.
Melting point (Celsius)
59.00
Melting point (Kelvin)
332.00
Boiling point (Celsius)
140.00
Boiling point (Kelvin)
413.00
General information
Molecular weight
303.35g/mol
Molar mass
303.3530g/mol
Density
1.2698g/cm3
Appearence

Scopolamine typically appears as a white, crystalline powder. It is water-soluble, giving a clear solution. In pharmacological preparations, it might be found in different forms such as tablets, patches, or solutions for injection, each designed to ensure precise dosing.

Comment on solubility

Solubility of 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

The solubility of the compound with the chemical formula C17H21NO4 can be influenced by various factors, including its structural complexity and the presence of functional groups. Here are some critical points regarding its solubility:

  • Polarity: The presence of polar functional groups, such as methoxy (-OCH3) and azoniapentacyclo structures, commonly increases the solubility in polar solvents like water.
  • Non-polar characteristics: Additionally, the hydrophobic portions of the compound can lead to some degree of solubility in organic solvents like ethanol or dichloromethane.
  • Solvent interactions: The interactions between the solvent molecules and the compound itself can determine the extent of solubility. For instance, in polar solvents, the ability to form hydrogen bonds can enhance solubility.
  • Temperature effects: Higher temperatures may improve solubility due to increased molecular movement, allowing the compound to dissolve more effectively.

Overall, while it is challenging to define a single solubility characteristic for such a complex compound without empirical data, researchers would generally expect moderate solubility in both polar and non-polar solvents. Therefore, experimental assessment would be essential for precise applications in fields such as pharmacology or materials science.

Interesting facts

Interesting Facts About 16,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene

The compound known as 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene is a fascinating example of a complex polycyclic compound, which showcases the intricate nature of organic chemistry. Here are some engaging aspects of this compound:

  • Structural Complexity: The nomenclature reflects a highly intricate structure, featuring multiple fused rings that highlight the versatility and creativity found in organic compound synthesis.
  • Chemical Diversity: This compound incorporates both oxygen and nitrogen heteroatoms, making it a part of a broader category known as heterocycles. These additives often lead to unique properties and reactivities.
  • Potential Applications: Compounds of this structure may be studied for their potential use in drug discovery and development. The unique arrangement of rings can influence biological activity, making compounds of this sort critical in medicinal chemistry.
  • Synthetic Pathways: The synthesis of such a complex compound can involve multiple reaction steps, highlighting the importance of careful planning and execution in organic synthesis.
  • Interdisciplinary Connections: This compound’s study invites collaboration among various fields, including medicinal chemistry, pharmacology, and materials science, demonstrating how chemistry is at the intersection of numerous scientific domains.

This compound not only serves as a representation of the intricate art of synthetic organic chemistry but also exemplifies the potential for new discoveries in a variety of scientific applications. One compelling quote to consider is, "The beauty of chemistry lies in its complexity and the endless possibilities it offers." Such complex molecules are truly a testament to the endless opportunities within the field.

Synonyms
berberine
2086-83-1
Umbellatine
Berberin
Berbericine
Majarine
Thalsine
Umbellatin
Berberone
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-
9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
0I8Y3P32UF
CHEBI:16118
EINECS 218-229-1
BRN 3570374
UNII-0I8Y3P32UF
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-
DTXSID9043857
9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium
Berberal
9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
BERBERINE (MART.)
BERBERINE [MART.]
BERBINIUM, 7,8,13,13a-TETRAHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-
CHEMBL12089
9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium
5,6-DIHYDRO-9,10-DIMETHOXY-1,3-BENZODIOXOLO(5,6-A)BENZO(G)QUINOLIZINIUM
5,6-DIHYDRO-9,10-DIMETHOXYBENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM
9,10-DIMETHOXY-5,6-DIHYDRO(1,3)DIOXOLO(4,5-G)ISOQUINO(3,2-A)ISOQUINOLIN-7-IUM
BER
NSC646666
NCGC00016526-02
NCGC00016526-07
CAS-633-65-8
Berbinium
berberine dimer
Coptis rhizome
Berberinechloride
7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenebis(oxy))berbinium
7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-[methylenebis(oxy)]berbinium
C20H18NO4
MFCD01175817
Umbellatine (6CI)
Spectrum_001110
ST055798
BERBERINE [MI]
Prestwick0_000586
Prestwick1_000586
Prestwick2_000586
Prestwick3_000586
Spectrum2_000894
Spectrum3_000618
Spectrum4_000785
Spectrum5_001458
BERBERINE [VANDF]
UPCMLD-DP032
NCIMech_000354
BERBERINE [WHO-DD]
SCHEMBL25632
BSPBio_000432
BSPBio_002156
KBioGR_001230
KBioSS_001590
cid_12456
DivK1c_000265
inverted exclamation markY97%
SPBio_000708
SPBio_002651
BPBio1_000476
CHEMBL295124
MEGxp0_001923
DTXCID7023857
UPCMLD-DP032:001
ACon1_001957
BCBcMAP01_000112
GTPL11353
KBio1_000265
KBio2_001590
KBio2_004158
KBio2_006726
KBio3_001656
NINDS_000265
34MD1011DM
HMS3561D13
HY-N0716
AC-117
BBL029198
BDBM50203126
CCG-35898
s9046
STK870320
7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium
AKOS002141363
DB04115
SDCCGMLS-0066718.P001
9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo-[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
IDI1_000265
SMP1_000298
NCGC00016526-01
NCGC00016526-03
NCGC00016526-04
NCGC00016526-05
NCGC00016526-06
NCGC00016526-08
NCGC00016526-11
NCGC00016526-13
NCGC00091896-03
NCI60_001050
NCI60_001224
NCI60_004319
SY232626
SBI-0051613.P002
DB-050153
BERBERINE (CONSTITUENT OF GOLDENSEAL)
CS-0009734
NS00009669
C00757
Q176525
BERBERINE (CONSTITUENT OF GOLDENSEAL) [DSC]
SR-01000711827-5
BRD-K14796088-003-06-0
BRD-K14796088-003-17-7
BRD-K14796088-003-25-0
BRD-K14796088-003-26-8
5,6-dihydro-9,10-dimethoxy-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-
3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium
9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium
9,10-Dimethoxy-5,6-dihydro-7lambda~5~-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy- (9CI)
16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
218-229-1
9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride
9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; chloride
InChI=1/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+