Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01158)
Name
Indocyanine green
Synonyms    Click to Show/Hide the Synonyms of This API
indocyanine green; 3599-32-4; Foxgreen; Cardiogreen; Cardio-Green; IC Green; IndocyanineGreen; MFCD00013078; ICG; Sodium 4-(2-(7-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate; C43H47N2O6S2.Na; Cardiogreen, for microscopy; Cardiogreen, polymethine dye; SCHEMBL16027582; 1H-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)-, inner salt, sodiumsalt; AKOS015896404; AKOS016010308; AS-11023; I0535; A823083; Q905662; Indocyanine green, United States Pharmacopeia (USP) Reference Standard; sodium 4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)-2-benzo[e]indol-3-iumyl]hepta-2,4,6-trienylidene]-1,1-dimethyl-3-benzo[e]indolyl]-1-butanesulfonate; sodium 4-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethyl-benzo[e]indol-3-yl]butane-1-sulfonate
Clinical Status
Approved
PubChem CID
11967809
Formula
C43H47N2NaO6S2
Canonical 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.[Na+]
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
InChIKey
MOFVSTNWEDAEEK-UHFFFAOYSA-M
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=11967809"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 775 Topological Polar Surface Area 137
XlogP N.A. Complexity 1520
Heavy Atom Count 54 Rotatable Bond Count 12
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7
Full List of Drug Formulations (DFMs) Containing This API
          Indocyanine Green 25mg lyophilized powder Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium Iodide
                   Dosage Form Lyophilized Powder
                   Company Olympus America
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium iodide DIG Info Carbonic anhydrase I (Ki = 300000 nM) [1]
          Indocyanine Green 25mg powder Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Water
                   Dosage Form Powder
                   Company Akorn
References
1 Anion inhibition studies of the fastest carbonic anhydrase (CA) known, the extremo-CA from the bacterium Sulfurihydrogenibium azorense. Bioorg Med Chem Lett. 2012 Dec 1; 22(23):7142-5.

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