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Baclofen

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Identification
Molecular formula
C10H12ClNO2
CAS number
1134-47-0
IUPAC name
(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
State
State

At room temperature, Baclofen is in a solid state, typically presented in tablet form for therapeutic use.

Melting point (Celsius)
206.50
Melting point (Kelvin)
479.65
Boiling point (Celsius)
322.00
Boiling point (Kelvin)
595.15
General information
Molecular weight
213.66g/mol
Molar mass
213.6590g/mol
Density
1.2248g/cm3
Appearence

Baclofen is typically found as an off-white to white crystalline powder. It is practically odorless.

Comment on solubility

Solubility of (1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione

The solubility of the compound with the formula C10H12ClNO2 can depend on several factors including its chemical structure, polarity, and molecular interactions. Here are some key points to consider:

  • Polarity: The presence of hydroxyl (-OH) and carbonyl (C=O) groups in the compound enhances its potential for hydrogen bonding, which can improve its solubility in polar solvents.
  • Solvent Interaction: Due to its complex structure, this compound may exhibit varying solubility in different solvents:
    • Water: The hydroxyl groups suggest that it may have limited solubility in water.
    • Organic Solvents: This compound may dissolve better in organic solvents such as ethanol and dimethyl sulfoxide (DMSO).
  • Temperature Dependence: The solubility of this compound may increase with temperature, a common phenomenon in many chemical substances.

As a general observation, compounds with complex structures that contain multiple functional groups can show variability in solubility based on the solvent used and environmental conditions. Therefore, conducting solubility tests in various solvents is crucial to fully understand its solubility characteristics.

Interesting facts

Interesting Facts about (1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione

This compound is a fascinating example of complexity in organic chemistry, showcasing several unique features that make it an intriguing subject of study:

  • Stereochemistry: The various stereocenters (1R, 7S, 8S, 11R) indicate that this compound has a specific three-dimensional arrangement. This is vital for understanding its reactivity and interactions with biological systems.
  • Functional Groups: The presence of multiple functional groups, such as hydroxymethyl and hydroxy groups, suggests potential biological activity. Compounds like these can often exhibit interesting pharmacological properties.
  • Complex Framework: This compound includes a tetracyclic structure, which offers an elaborate framework that can be manipulated in chemical reactions, making it a distinct candidate for organic synthesis and medicinal chemistry.
  • Sulfur and Nitrogen Atoms: With sulfur and nitrogen incorporated into its structure, this compound highlights the versatility of heteroatoms in organic chemistry. Heteroatoms can significantly influence properties such as solubility and reactivity.
  • Applications in Research: Compounds with intricate structures like this one are often investigated for potential applications in drug design or materials science due to their unique properties.

Researchers might say, "Understanding such a complex molecular structure can open new pathways in the development of therapeutic agents and new materials." The exploration of compounds like this not only enhances our grasp of chemistry but also paves the way for innovations in various scientific fields.

Synonyms
gliotoxin
67-99-2
Aspergillin
CCRIS 4025
Gliotoxin from Gliocladium fimbriatum
NSC 102866
UNII-5L648PH06K
BRN 0050675
AI3-62383
S.N. 12870
GLIOTOXIN [MI]
CHEBI:5385
CHEMBL331627
DTXSID60877179
5L648PH06K
4-27-00-08902 (Beilstein Handbook Reference)
MFCD00058534
NSC-102866
10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-
Gliotoxins
S. N.-12870
(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione
2,3,5a,6-Tetrahydro-6-hydroxy-3(hyroxymethyl)-2-methyl-10H-3a,10a-epidithio-pyrazinol[1,2alpha]indole-1,4-dione
NSC102866
(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
(3R,5aS,6S,10aR)-2,3,5a,6-Tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione
(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,5a,6-tetrahydro-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione
6-Hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione
7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-9,12-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,13-dione
Glitoxin
(3R,5aS,6S,10aR)-2,3,5a,6-Tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-epidithiopyrazino(1,2-a)indole-1,4-dione
(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino(1,2-a)indole-1,4-dione
2,3,5a,6-Tetrahydro-6-hydroxy-3(hyroxymethyl)-2-methyl-10H-3a,10a-epidithio-pyrazinol(1,2alpha)indole-1,4-dione
6-Hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino(1,2-a)indole-1,4-dione
7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo(9.2.2.01,9.03,8)pentadeca-3,5-diene-10,14-dione
7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-9,12-diazatetracyclo(9.2.2.01,9.03,8)pentadeca-3,5-diene-10,13-dione
S. N. 12870
SCHEMBL54420
BSPBio_001237
FIVPIPIDMRVLAY-RBJBARPLSA-N
DTXCID701015261
GLXC-20768
HMS1792M19
HMS1990M19
HMS3403M19
PI129
10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione,2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-
HY-N6727
BDBM50134315
CCG-35318
CCG-36058
HB4612
AKOS024457211
QTL1_000040
NCGC00163466-01
NCGC00163466-02
10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-hydroxy-3- (hydroxymethyl)-2-methyl-, (3R-(3-alpha,5a-beta,6-beta,10a-alpha))-
AC-31273
BG162731
DA-63781
CS-0029133
NS00011815
F82160
Q413364
SR-05000002340
SR-05000002340-2
(3R,5aS,6S,10aR)-2,3,5a,6-Tetrahydr o-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-e pidithiopyrazino[1,2-a]indole-1,4-dione
10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-hydroxy-3-(hydroxymethyl)-2-methyl-, (3R-(3-alpha,5a-beta,6-beta,10a-alpha))-
10H-3,10A-EPIDITHIOPYRAZINO(1,2-A)INDOLE-1,4-DIONE, 2,3,5A,6-TETRAHYDRO-6-HYDROXY-3-(HYDROXYMETHYL)-2-METHYL-, (3R,5AS,6S,10AR)-
2,3,5a,6-Tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4 dione