Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Pyridinium, 1-methyl-3-(p-(p-((((1-methylpyridinium-3-yl)carbamoyl)1,4-naphthyl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Pyridinium, 1-methyl-3-(p-(p-((((1-methylpyridinium-3-yl)carbamoyl)1,4-naphthyl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate

 EINECS N/A
CAS No. 68771-76-6 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C38H32N6O4•2C7H7O3S Boiling Point N/A
Molecular Weight 979.16 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 68771-76-6 (1-methyl-3-({[4-({[4-({4-[(1-methylpyridinium-3-yl)carbamoyl]naphthalen-1-yl}carbamoyl)phenyl]carbonyl}amino)phenyl]carbonyl}amino)pyridinium bis(4-methylbenzenesulfonate)) Hazard Symbols N/A
Synonyms

N/A

 

Pyridinium, 1-methyl-3-(p-(p-((((1-methylpyridinium-3-yl)carbamoyl)1,4-naphthyl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate Chemical Properties

Molecule structure of Pyridinium, 1-methyl-3-(p-(p-((((1-methylpyridinium-3-yl)carbamoyl)1,4-naphthyl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate (CAS NO.68771-76-6):

IUPAC Name: 4-Methylbenzenesulfonate; 1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]naphthalen-1-yl]-4-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide 
Molecular Weight: 979.08584 g/mol
Molecular Formula: C52H46N6O10S2
H-Bond Donor: 4
H-Bond Acceptor: 10
Rotatable Bond Count: 8
Tautomer Count: 49
Exact Mass: 978.271683
MonoIsotopic Mass: 978.271683
Topological Polar Surface Area: 239
Heavy Atom Count: 70 
Complexity: 1310
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C5=CC=CC=C54)C(=O)NC6=C[N+]=CC=C6)C
InChI: InChI=1S/C38H30N6O4.2C7H8O3S/c1-43-21-5-7-29(23-43)40-36(46)27-15-17-28(18-16-27)39-35(45)25-11-13-26(14-12-25)37(47)42-34-20-19-33(31-9-3-4-10-32(31)34)38(48)41-30-8-6-22-44(2)24-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-24H,1-2H3,(H2-2,39,40,41,42,45,46,47,48);2*2-5H,1H3,(H,8,9,10)
InChIKey of Pyridinium, 1-methyl-3-(p-(p-((((1-methylpyridinium-3-yl)carbamoyl)1,4-naphthyl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate (CAS NO.68771-76-6): UAMQKPGSUNBQQK-UHFFFAOYSA-N

Pyridinium, 1-methyl-3-(p-(p-((((1-methylpyridinium-3-yl)carbamoyl)1,4-naphthyl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate Toxicity Data With Reference

1.    

dnd-mus:lym 2200 nmol/L

     JMCMAR    Journal of Medicinal Chemistry. 22 (1979),134.
2.    

ipr-mus LD10:75 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 22 (1979),134.

Pyridinium, 1-methyl-3-(p-(p-((((1-methylpyridinium-3-yl)carbamoyl)1,4-naphthyl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 68771-76-6