Home Pyridines 100488-87-7
100488-87-7,MFCD00467177
Catalog No.:AA00021B
100488-87-7 | Pyridinium, 2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethyl-, chloride (1:1)
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1mg
≥95%
1 week  
$265.00   $185.00
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5mg
≥95%
1 week  
$993.00   $695.00
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Technical Information
Catalog Number:
AA00021B
Chemical Name:
Pyridinium, 2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethyl-, chloride (1:1)
CAS Number:
100488-87-7
Molecular Formula:
C34H60ClN3O6
Molecular Weight:
642.3097
MDL Number:
MFCD00467177
IUPAC Name:
[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate;chloride
InChI:
InChI=1S/C34H59N3O6.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2;/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3;1H
InChI Key:
APUCCVGQZPNXIO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC.[Cl-]
Properties
Computed Properties
 
Complexity:
722  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
641.417g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
642.319g/mol
Monoisotopic Mass:
641.417g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
2-(N-acetyl-N-(2-methoxy-3-octadecylcarbamoyloxypropoxycarbonyl)aminomethyl)-1-ethylpyridinium 
CV 6209 
Pyridinium,2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethyl-,chloride (1:1) 
CHEMBL274420 
Pyridinium, 2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethyl-, chloride 
CV6209 
ACMC-20eiy3 
AC1L32P1 
SCHEMBL9119534 
CTK3J8997 
AKOS027326457 
LS-184309 
CV 6209 chloride 
RT-012110 
FT-0665237 
J-000145 
2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacosyl)-1-ethylpyridinium chloride 
[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate chloride 
1-ethyl-2-{[N-({2-methoxy-3-[(octadecylcarbamoyl)oxy]propoxy}carbonyl)acetamido]methyl}pyridin-1-ium chloride 
Pyridinium, 2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethyl-, chloride (1:1) 
C34H60N3O6.Cl 
APUCCVGQZPNXIO-UHFFFAOYSA-N 
C34-H60-N3-O6.Cl 
CV-6209 
CID107756 
CV-6209 
100488-87-7 
CV 6209 Chloride 
CV 6209 
117064-08-1 
2-(N-Acetyl-N-(2-methoxy-3-octadecylcarbamoyloxypropoxycarbonyl)aminomethyl)-1-ethylpyridinium 
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