Indocyanine greenProduct ingredient for Indocyanine green acid form
- Name
- Indocyanine green
- Drug Entry
- Indocyanine green acid form
Indocyanine Green is a water soluble, tricarbocyanine dye with a peak spectral absorption at 800 nm. The chemical name for Indocyanine Green is 1 H-Benz[e]indolium, 2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e] indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-,hydroxide, inner salt, sodium salt. Indocyanine Green for Injection USP has a pH of approximately 6.5 when reconstituted. Each vial of Indocyanine Green for Injection USP contains 25 mg of Indocyanine Green as a sterile lyophilized powder with no more than 5% sodium iodide.
- Accession Number
- DBSALT001946
- Structure
- Synonyms
- Cardio-Green / Fox Green / IC-Green / ICG
- External IDs
- IR 125 / NK 1611
- UNII
- IX6J1063HV
- CAS Number
- 3599-32-4
- Weight
- Average: 774.97
Monoisotopic: 774.27732387 - Chemical Formula
- C43H47N2NaO6S2
- InChI Key
- MOFVSTNWEDAEEK-UHFFFAOYSA-M
- 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
- IUPAC Name
- sodium 2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
- SMILES
- [Na+].CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)C3=C(C4=CC=CC=C4C=C3)C2(C)C)N(CCCCS([O-])(=O)=O)C2=C1C1=CC=CC=C1C=C2
- External Links
- KEGG Drug
- D01342
- ChemSpider
- 18108
- ChEBI
- 31696
- ChEMBL
- CHEMBL1646
- Wikipedia
- Indocyanine_green
- Predicted Properties
Property Value Source logP 6.05 Chemaxon pKa (Strongest Acidic) -0.94 Chemaxon pKa (Strongest Basic) 4.85 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 120.65 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 228.88 m3·mol-1 Chemaxon Polarizability 86.08 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon