Indocyanine green acid form

Base Information

• Chemical Name: Indocyanine green acid form
• CAS No.: 28782-33-4
• Molecular Formula: C₄₃H₄₈N₂O₆S₂
• Molecular Weight: 752.996
• RXCUI: 2199577
• ChEMBL ID: CHEMBL1615807
• Mol file: 28782-33-4.mol

Synonyms:4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid;Indocyanine green acid form;28782-33-4;SCHEMBL9976691;CHEMBL1615807;DB09374

Chemical Property of Indocyanine green acid form

Chemical Property:

• XLogP3: 8.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 753.30320463
• Heavy Atom Count: 53
• Complexity: 1540

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O)C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)O)C=CC6=CC=CC=C65)(C)C)C
• Isomeric SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O)/C=C/C=C/C=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)O)C=CC6=CC=CC=C65)(C)C)C