Indocyanine Green

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 354
Total Number of Articles : 550
PubChem 169410069
Molecular Formula

C43H47N2NaO6S2

SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=C/C=C/C=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+]

InChI

InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1

synonyms
  • indocyanine green
  • 3599-32-4
Click to show/hide the synonyms
Properties
Property Value
MW 775.0 g/mol
HBD 0
HBA 7
Rotatable Bond Count 12
Exact Mass 774.27732385 g/mol
Monoisotopic Mass 774.27732385 g/mol
Heavy Atom Count 54
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 1520
xlogp None
Topological Polar Surface Area 137