6-amino-2-[[(E)-(3-formylphenyl)methylideneamino]carbamoylamino]-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid

Base Information

• Chemical Name: 6-amino-2-[[(E)-(3-formylphenyl)methylideneamino]carbamoylamino]-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid
• CAS No.: 131816-87-0
• Molecular Formula: C21H15N5O10S2
• Molecular Weight: 561.5013
• Mol file: 131816-87-0.mol

Synonyms:Compound A2;131816-87-0;A2;6-amino-2-[[(E)-(3-formylphenyl)methylideneamino]carbamoylamino]-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid;1H-Benz(de)isoquinoline-5,8-disulfonic acid, 6-amino-2-(((((3-formylphenyl)methylene)hydrazino)carbonyl)amino)-2,3-dihydro-1,3-dioxo-;1H-Benz[de]isoquinoline-5,8-disulfonic acid, 6-amino-2-[[[[(3-formylphenyl)methylene]hydrazino]carbonyl]amino]-2,3-dihydro-1,3-dioxo-;6-amino-2-[[(E)-(3-formylphenyl)methyleneamino]carbamoylamino]-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonic acid

Chemical Property of 6-amino-2-[[(E)-(3-formylphenyl)methylideneamino]carbamoylamino]-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 264.64000
• Density: 1.85g/cm³
• LogP: 3.14820
• Storage Temp.: -20°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 561.02603404
• Heavy Atom Count: 38
• Complexity: 1230

Purity/Quality:

99% ^*data from raw suppliers

ATP6V0A2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C=O)C=NNC(=O)NN2C(=O)C3=CC(=CC4=C3C(=CC(=C4N)S(=O)(=O)O)C2=O)S(=O)(=O)O
• Isomeric SMILES: C1=CC(=CC(=C1)C=O)/C=N/NC(=O)NN2C(=O)C3=CC(=CC4=C3C(=CC(=C4N)S(=O)(=O)O)C2=O)S(=O)(=O)O
• Recent ClinicalTrials: A Phase I Open Label Study to Assess PK and Safety of Plant Cannabis Extract

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