Indocyanine green

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Summary

Indocyanine green is a diagnostic agent for vascular imagine and radiography of the eye, as well as liver function tests.

Generic Name
Indocyanine green
DrugBank Accession Number
DB16024
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
Weight
Average: 774.97
Monoisotopic: 774.27732387
Chemical Formula
C43H47N2NaO6S2
Synonyms
  • Indocyanine green
External IDs
  • 222-751-5

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
V04CX01 — Indocyanine green
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
3-alkylindoles / Tertiary alkylarylamines / Sulfonyls / Organosulfonic acids / Alkanesulfonic acids / Propargyl-type 1,3-dipolar organic compounds / Enamines / Azacyclic compounds / Organopnictogen compounds / Organic zwitterions
show 3 more
Substituents
3-alkylindole / Alkanesulfonic acid / Amine / Aromatic heteropolycyclic compound / Azacycle / Enamine / Hydrocarbon derivative / Indole or derivatives / Naphthalene / Organic 1,3-dipolar compound
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
cyanine dye, 1,1-diunsubstituted alkanesulfonate, benzoindole (CHEBI:31696)
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
3599-32-4
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(=CC=CC=CC=CC2=[N+](CCCCS([O-])(=O)=O)C3=CC=C4C=CC=CC4=C3C2(C)C)N(CCCCS([O-])(=O)=O)C2=CC=C3C=CC=CC3=C12

References

General References
  1. FDA Thailand: Diagnogreen (Indocyanine Green) Injection [Link]
ChemSpider
18108
RxNav
5775
ChEMBL
CHEMBL1646
Wikipedia
Indocyanine_green

Clinical Trials

Clinical Trials

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP6.05Chemaxon
pKa (Strongest Acidic)-0.94Chemaxon
pKa (Strongest Basic)4.85Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area120.65 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity228.88 m3·mol-1Chemaxon
Polarizability86.08 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-316.2253896
predicted
DarkChem Lite v0.1.0
[M-H]-263.94638
predicted
DeepCCS 1.0 (2019)
[M+H]+315.8118896
predicted
DarkChem Lite v0.1.0
[M+H]+266.0629
predicted
DeepCCS 1.0 (2019)
[M+Na]+318.7132896
predicted
DarkChem Lite v0.1.0
[M+Na]+271.97256
predicted
DeepCCS 1.0 (2019)

Drug created at December 14, 2020 18:13 / Updated at February 26, 2024 01:13