Betanidin sulfate

Base Information

• Chemical Name: Betanidin sulfate
• CAS No.: 37717-82-1
• Molecular Formula: C18H14N2O8•7H2O4S
• Molecular Weight: 1072.90
• Mol file: 37717-82-1.mol

Synonyms:Betanidin sulfate;1H-Indolium, 2-carboxy-1-((2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene)-5,6-dihydroxy-, hydroxide, inner salt, sulfate (salt);2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R*))-, sulfate (salt);37717-82-1;C18H14N2O8.xH2O4S;LS-83573;C18-H14-N2-O8.H2-O4-S

Chemical Property of Betanidin sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 484.04239512
• Heavy Atom Count: 33
• Complexity: 911

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C([NH2+]C(=CC1=CC=[N+]2C3=CC(=C(C=C3C=C2C(=O)O)O)O)C(=O)O)C(=O)[O-].OS(=O)(=O)[O-]
• Isomeric SMILES: C\1C([NH2+]C(=C/C1=C/C=[N+]2C3=CC(=C(C=C3C=C2C(=O)O)O)O)C(=O)O)C(=O)[O-].OS(=O)(=O)[O-]