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2964-09-2,MFCD00011786
Catalog No.:AA002YW6

2964-09-2 | Benzoylcholine chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$27.00   $19.00
- +
5g
98%
in stock  
$66.00   $46.00
- +
25g
>98.0%(T)
in stock  
$195.00   $136.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002YW6
Chemical Name:
Benzoylcholine chloride
CAS Number:
2964-09-2
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD00011786
SMILES:
O=C(c1ccccc1)OCC[N+](C)(C)C.[Cl-]
Properties
Properties
 
Form:
Solid  
MP:
204-208 °C  
Stability:
Hygroscopic  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route

[1]Nothnagel[ArchivderPharmazie,1894,vol.232,p.266]

[1]Glick[JournalofBiologicalChemistry,1938,vol.125,p.729,733][JournaloftheAmericanChemicalSociety,1942,vol.64,p.564,566]Bell;Carr[JournaloftheAmericanPharmaceuticalAssociation(1912),1949,vol.36,p.272]

[2]Kahane;Rousseau[BulletindelaSocieteChimiquedeFrance,1939,vol.<5>6,p.648]

[1]Ford-Moore[OrganicSyntheses,1963,vol.Coll.Vol.IV,p.84]

[1]ArkivfoerKemi,1945,vol.20A,p.4

[2]ProceedingsoftheRoyalSocietyofLondon.SeriesB,Biologicalsciences,1937,vol.121,p.142,150

[3]BulletindelaSocieteChimiquedeFrance,1914,vol.<4>15,p.547

[1]JournaloftheChemicalSociety,1940,p.422

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Quotation Request
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SDS
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Tags:2964-09-2 Molecular Formula|2964-09-2 MDL|2964-09-2 SMILES|2964-09-2 Benzoylcholine chloride
Catalog No.: AA002YW6
2964-09-2,MFCD00011786
2964-09-2 | Benzoylcholine chloride
Pack Size： 1g
Purity： 98%
in stock
$27.00 $19.00
Pack Size： 5g
Purity： 98%
in stock
$66.00 $46.00
Pack Size： 25g
Purity： >98.0%(T)
in stock
$195.00 $136.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002YW6
Chemical Name: Benzoylcholine chloride
CAS Number: 2964-09-2
Molecular Formula: C12H18ClNO2
Molecular Weight: 243.7298
MDL Number: MFCD00011786
SMILES: O=C(c1ccccc1)OCC[N+](C)(C)C.[Cl-]
Properties
Form: Solid  
MP: 204-208 °C  
Stability: Hygroscopic  
Storage: Room Temperature;  
Complexity: 202  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
62-49-7    98-88-4    2964-09-2 

[1]Nothnagel[ArchivderPharmazie,1894,vol.232,p.266]

67-48-1    98-88-4    2964-09-2 

[1]Glick[JournalofBiologicalChemistry,1938,vol.125,p.729,733][JournaloftheAmericanChemicalSociety,1942,vol.64,p.564,566]Bell;Carr[JournaloftheAmericanPharmaceuticalAssociation(1912),1949,vol.36,p.272]

[2]Kahane;Rousseau[BulletindelaSocieteChimiquedeFrance,1939,vol.<5>6,p.648]

39252-69-2    75-50-3    2964-09-2 

[1]Ford-Moore[OrganicSyntheses,1963,vol.Coll.Vol.IV,p.84]

939-55-9    75-50-3    2964-09-2 

[1]ArkivfoerKemi,1945,vol.20A,p.4

[2]ProceedingsoftheRoyalSocietyofLondon.SeriesB,Biologicalsciences,1937,vol.121,p.142,150

[3]BulletindelaSocieteChimiquedeFrance,1914,vol.<4>15,p.547

2208-05-1    74-88-4    2964-09-2 

[1]JournaloftheChemicalSociety,1940,p.422

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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