Indocyanine green

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

Identification

Name
Indocyanine green
Accession Number
DB16024
Description
Not Available
Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 774.97
Monoisotopic: 774.27732387
Chemical Formula
C43H47N2NaO6S2
Synonyms
  • Indocyanine green
External IDs
  • 222-751-5

Pharmacology

Pharmacology
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Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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Toxicity
Not Available
Affected organisms
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

Products

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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)

Chemical Identifiers

UNII
IX6J1063HV
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-[(1E,3E,5E)-7-[(2E)-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=CC=C4C=CC=CC4=C3C2(C)C)N(CCCCS([O-])(=O)=O)C2=CC=C3C=CC=CC3=C12

References

General References
Not Available
ChemSpider
18108
RxNav
5775
ChEMBL
CHEMBL1646
Wikipedia
Indocyanine_green

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedDiagnosticLiver Cirrhosis1
4CompletedOtherGraves Diseases / Thyroid Cancers / Thyroid Goiter1
4Enrolling by InvitationDiagnosticLymphedema1
4Not Yet RecruitingDiagnosticAcute Calculous Cholecystitis / Acute Cholecystitis With Obstruction / Acute; Cholecystitis, Choledocholithiasis1
4Not Yet RecruitingDiagnosticMalignant Neoplasm of Stomach1
4RecruitingPreventionHypocalcemia / Hypoparathyroidism Postprocedural / Total Thyroidectomy1
4RecruitingTreatmentDeep Endometriosis / Recto Vaginal Node1
4Unknown StatusDiagnosticNeoplasms, Breast1
4WithdrawnOtherSclerosis, Progressive Systemic1
3CompletedDiagnosticNeoplasms, Breast1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility4.42e-06 mg/mLALOGPS
logP4.17ALOGPS
logP6.05ChemAxon
logS-8.3ALOGPS
pKa (Strongest Acidic)-0.94ChemAxon
pKa (Strongest Basic)2.66ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area120.65 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity228.88 m3·mol-1ChemAxon
Polarizability86.31 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

Drug created on December 14, 2020 18:13 / Updated on February 21, 2021 18:55