Oftasceine

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

Identification

Name
Oftasceine
Accession Number
DB11184
Type
Small Molecule
Groups
Approved
Description

Oftasceine is also referred to as Fluorexon. It is used in ophthalmic solutions as a staining agent when fitting soft and hard lenses. It is a fluorescent dye or luminescent agent.

Structure
Thumb
Synonyms
  • oftasceína
External IDs
NSC-298193
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
SoftGloOftasceine (0.5 mg/0.5mg)StripOphthalmicHub Pharmaceuticals2012-04-012014-05-20Us
Categories
Not Available
UNII
V0YM2B16TS
CAS number
1461-15-0
Weight
Average: 622.539
Monoisotopic: 622.143488905
Chemical Formula
C30H26N2O13
InChI Key
DEGAKNSWVGKMLS-UHFFFAOYSA-N
InChI
InChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
IUPAC Name
2-{[(7'-{[bis(carboxymethyl)amino]methyl}-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2'-yl)methyl](carboxymethyl)amino}acetic acid
SMILES
OC(=O)CN(CC(O)=O)CC1=CC2=C(OC3=CC(O)=C(CN(CC(O)=O)CC(O)=O)C=C3C22OC(=O)C3=CC=CC=C23)C=C1O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
65079
PubChem Substance
347827936
ChemSpider
58589
ChEBI
51903
ChEMBL
CHEMBL1973733

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
StripOphthalmic0.5 mg/0.5mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0413 mg/mLALOGPS
logP2.04ALOGPS
logP-4ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)1.51ChemAxon
pKa (Strongest Basic)7.22ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area231.67 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity152.64 m3·mol-1ChemAxon
Polarizability59.23 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Pentacarboxylic acids and derivatives
Direct Parent
Pentacarboxylic acids and derivatives
Alternative Parents
Xanthenes / Diarylethers / Phthalides / Alpha amino acids / Benzofuranones / Isobenzofurans / 1-hydroxy-2-unsubstituted benzenoids / Aralkylamines / Trialkylamines / Lactones
show 8 more
Substituents
Pentacarboxylic acid or derivatives / Dibenzopyran / Xanthene / Diaryl ether / Alpha-amino acid / Alpha-amino acid or derivatives / Benzofuranone / Benzopyran / Isobenzofuranone / Phthalide
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
xanthene dye (CHEBI:51903)

Drug created on December 03, 2015 09:51 / Updated on November 02, 2018 07:07