Cannabisin A

Base Information

• Chemical Name: Cannabisin A
• CAS No.: 130508-46-2
• Molecular Formula: C₃₄H₃₀N₂O₈
• Molecular Weight: 594.621
• UNII: 77H3YWR6WL
• ChEMBL ID: CHEMBL5088868
• Nikkaji Number: J419.000I
• Wikidata: Q104963656
• Mol file: 130508-46-2.mol

Synonyms:Cannabisin A;130508-46-2;Cannabisim-a;77H3YWR6WL;1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]naphthalene-2,3-dicarboxamide;1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-N2,N3-bis(2-(4-hydroxyphenyl)ethyl)-2,3-naphthalenedicarboxamide;2,3-Naphthalenedicarboxamide, 1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-N,N'-bis(2-(4-hydroxyphenyl)ethyl)-;2,3-Naphthalenedicarboxamide, 1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-N2,N3-bis(2-(4-hydroxyphenyl)ethyl)-;N,N'-Bis(2-(4-hydroxyphenyl)ethyl)-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)naphthalene-2,3-dicarboxamide;N,N/'-Bis[2-(4-hydroxyphenyl)ethyl]-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)naphthalene-2,3-dicarboxami;N,N'-Bis[2-(4-hydroxyphenyl)ethyl]-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)naphthalene-2,3-dicarboxamide;UNII-77H3YWR6WL;CHEMBL5088868;GLXC-19131;HY-N1959;AKOS040763581;FS-8373;CS-0018277;C17905

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Chemical Property of Cannabisin A

Chemical Property:

• Boiling Point: 947.3±65.0 °C(Predicted)
• PKA: 8.60±0.40(Predicted)
• PSA: 179.58000
• Density: 1.434±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 5.46720
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 594.20021592
• Heavy Atom Count: 44
• Complexity: 936

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCNC(=O)C2=C(C(=C3C=C(C(=CC3=C2)O)O)C4=CC(=C(C=C4)O)O)C(=O)NCCC5=CC=C(C=C5)O)O