Pyridinium, 1-ethyl-3-(p-(p-((p-((1-ethylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate

Base Information

• Chemical Name: Pyridinium, 1-ethyl-3-(p-(p-((p-((1-ethylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate
• CAS No.: 19060-43-6
• Molecular Formula: C38H36N6O4•2C7H7O3S
• Molecular Weight: 983.20
• ChEMBL ID: CHEMBL3230641
• Mol file: 19060-43-6.mol

Synonyms:19060-43-6;Pyridinium, 1-ethyl-3-(p-(p-((p-((1-ethylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate;4-[(E)-3-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzamide;4-methylbenzenesulfonate;CHEMBL3230641;HSHAJOAXPVHFTK-QLVZFOIYSA-N;C38H36N6O4.2C7H7O3S;LS-132514;C38-H36-N6-O4.2C7-H7-O3-S

Chemical Property of Pyridinium, 1-ethyl-3-(p-(p-((p-((1-ethylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 262.30000
• Density: g/cm³
• LogP: 10.41480
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 982.30298416
• Heavy Atom Count: 70
• Complexity: 1280

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
• Isomeric SMILES: CC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]