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Drugsafenidine

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Identification
Molecular formula
C22H25ClN4O2
CAS number
858631-86-2
IUPAC name
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one
State
State

At room temperature, Drugsafenidine is typically in the form of a solid, specifically a crystalline powder.

Melting point (Celsius)
187.00
Melting point (Kelvin)
460.15
Boiling point (Celsius)
465.00
Boiling point (Kelvin)
738.15
General information
Molecular weight
447.93g/mol
Molar mass
447.9440g/mol
Density
1.3800g/cm3
Appearence

The compound typically appears as a crystalline solid. It can have a brownish or off-white coloration, depending on the purity and specific synthesis route used.

Comment on solubility

Solubility Insights

The compound 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one, with the chemical formula C22H25ClN4O2, presents interesting characteristics regarding its solubility. As a result of its complex structure, the solubility can be influenced by various factors. Here are some key points to consider:

  • Polarity: The presence of both polar and non-polar functional groups in the molecule can lead to variable solubility in different solvents.
  • Solvent Interaction: Typically, compounds with amine and carbonyl groups may exhibit better solubility in polar solvents like water or methanol, while the hydrophobic benzene-like sections could promote solubility in non-polar solvents like hexane.
  • pH Dependency: The solubility may also vary with pH changes due to potential protonation of nitrogen atoms, affecting its overall charge and solubility profile.

While specific solubility data may be limited, it is often noted that such compounds may exhibit moderate to low solubility in aqueous solutions. It is essential to conduct empirical solubility tests to accurately determine the behavior of this complex compound.

Interesting facts

Interesting Facts about 6-Chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one

This compound, a derivative of benzimidazole, presents a fascinating structure that highlights the intersection of medicinal chemistry and organic synthesis. Representing a class of compounds often utilized in pharmaceuticals, it embodies several intriguing features:

  • Pharmacological Potential: The presence of the benzimidazole moiety often relates to a range of biological activities including anti-cancer and anti-inflammatory properties. Researchers are keenly exploring how structural variations can enhance potency and selectivity.
  • Chloro Substitution: The chloro group in the compound can significantly influence the compound's reactivity and interaction with biological targets, making it a topic of interest in drug development.
  • Piperidine Ring: The incorporation of a piperidine ring may contribute to the compound's pharmacokinetics, influencing its absorption and distribution in biological systems.
  • Complexity of Design: The synthetic routes taken to achieve such a compound can be intricate, often requiring specific conditions or catalysts to achieve the desired structures with high specificity.

As scientists continue to unravel the potential of compounds like this, the quote from the renowned chemist Linus Pauling comes to mind: "The best way to have a good idea is to have lots of ideas." The exploration of various derivatives can lead to significant discoveries in the therapeutic landscape!

Additionally, understanding how structural features correlate with biological activity allows for strategic modifications to optimize efficacy.

Overall, the compound serves as a remarkable example of how chemistry can converge with medicine, providing endless possibilities for new treatments and advancements in healthcare.

Synonyms
domperidone
57808-66-9
Motilium
Domperidona
Domperidonum
Nauzelin
R 33,812
Domperidonum [INN-Latin]
Domperidona [INN-Spanish]
R-33812
NSC299589
NSC-299589
KW 5338
KW-5338
EINECS 260-968-7
MFCD00069256
NSC-759575
4-(5-Chloro-2-oxo-1-benzimidazolinyl)-1-[3-(2-oxobenzimidazolinyl)propyl]piperidine
5-Chloro-1-(1-(3-(2-oxo-1-benzimidazolinyl)propyl)-4-piperidyl)-2-benzimidazolinone
BRN 0903774
DTXSID1045116
CHEBI:31515
UNII-5587267Z69
5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
MLS000069343
CHEMBL219916
2H-Benzimidazol-2-one, 5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro-
5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
Domperidon
DTXCID9025116
5-24-02-00402 (Beilstein Handbook Reference)
5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolinyl)propyl]-4-piperidyl]-2-benzimidazolinone
5587267Z69
NSC 299589
NSC 759575
Motinorm
Costi
C22H24ClN5O2
Domperidonum (INN-Latin)
Domperidona (INN-Spanish)
DOMPERIDONE (MART.)
DOMPERIDONE [MART.]
1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one
2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-
5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
5-chloro-1-(1-(3-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
DOMPERIDONE (EP MONOGRAPH)
DOMPERIDONE [EP MONOGRAPH]
Motillium
Motilium (TN)
SMR000326802
CAS-57808-66-9
Lopac-D-122
SR-01000003002
Equidone
Equidone Gel
Nauzelin OD
Domperidone,(S)
5-Chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl)piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one
5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl)-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
5-chloro-1-{1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one
Domperidone [USAN:INN:BAN:JAN]
Prestwick_794
NCI299589
HS-0067
Domperidone (Motilium)
Domperidone (Standard)
Spectrum_000391
Opera_ID_616
SpecPlus_000825
DOMPERIDONE [MI]
Domperidone, pharma grade
Prestwick0_000461
Prestwick1_000461
Prestwick2_000461
Prestwick3_000461
Spectrum4_000087
DOMPERIDONE [INN]
DOMPERIDONE [JAN]
DOMPERIDONE [USAN]
Biomol-NT_000022
DOMPERIDONE [VANDF]
NCIStruc1_001686
NCIStruc2_001819
Lopac0_000427
SCHEMBL43729
BSPBio_002350
DOMPERIDONE [WHO-DD]
GTPL965
KBioGR_000354
KBioSS_000871
MLS000859942
MLS001306482
MLS002222324
DivK1c_006921
SPECTRUM2300212
SPBio_002501
BPBio1_000620
BPBio1_001185
DOMPERIDONE [GREEN BOOK]
Domperidone (JP18/USAN/INN)
HY-B0411R
KBio1_001865
KBio2_000871
KBio2_003439
KBio2_006007
A03FA03
HMS1922N04
HMS2089C14
HMS2093N22
HMS2096C21
HMS2230N18
HMS3261E16
HMS3269O13
HMS3370L03
HMS3413F15
HMS3656M21
HMS3677F15
HMS3713C21
HMS3884N19
Pharmakon1600-02300212
BCP28265
Domperidone 1.0 mg/ml in Methanol
HY-B0411
Tox21_110056
Tox21_500427
BBL028136
BDBM50241107
CCG-37870
HB1888
NCGC00014670
NSC759575
s2461
STK622843
AKOS005555858
Tox21_110056_1
AC-2037
DB01184
Domperidone, powder, >=98% (HPLC)
FD31879
LP00427
SDCCGSBI-0050412.P004
NCGC00014670-01
NCGC00014670-02
NCGC00014670-03
NCGC00014670-04
NCGC00014670-05
NCGC00014670-06
NCGC00014670-07
NCGC00014670-08
NCGC00014670-09
NCGC00014670-10
NCGC00014670-11
NCGC00014670-12
NCGC00014670-13
NCGC00014670-14
NCGC00014670-16
NCGC00014670-17
NCGC00014670-28
NCGC00015306-01
NCGC00021472-02
NCGC00021472-03
NCGC00021472-04
NCGC00021472-05
NCGC00021472-06
NCGC00021472-07
NCGC00021472-08
NCGC00097773-01
NCGC00261112-01
5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one
5-chloro-1-(1-(3-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one
BD164379
NCI60_002512
SMR000058969
SY052451
AB00052423
D4125
EU-0100427
NS00002818
SW196931-3
C75710
D01745
G91438
AB00052423-06
AB00052423-07
AB00052423_08
AB00052423_09
EN300-7411248
L000230
Q424238
SR-01000003002-2
SR-01000003002-4
SR-01000003002-7
BRD-K38305202-001-02-6
BRD-K38305202-001-08-3
BRD-K38305202-001-16-6
BRD-K38305202-001-17-4
BRD-K38305202-001-18-2
Domperidone, European Pharmacopoeia (EP) Reference Standard
5-Chloro-1-[1-[3-(2-oxo-1-benzimidazolyl)propyl]-4-piperidyl]benzimidazol-2-one
1H-Benzimidazol-2-ol, 5-chloro-1-[1-[3-(2-hydroxy-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-
260-968-7
2H-Benzimidazol-2-one,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-
5-Chloro-1-[1-[3-(2,3-dihydro-2-oxo -1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-d ihydro-2H-benzimidazol-2-one
5-Chloro-1-[1-[3-(2-oxo-2,3-dihydro-1-benzoimidazolyl)propyl]-4-piperidyl]-1H-benzo[d]imidazol-2(3H)-one
5-Chloro-1-[1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1- yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one
5-chloro-1-{1-[3-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one
5-Chloro-1-{1-[3-(2-hydroxy-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-2,3-dihydro-1H-benzoimidazol-2-ol
5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(domperidone)
DOMPERIDONE5-Chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one