NAV

Rhodamine B

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

Identification

Generic Name
Rhodamine B
DrugBank Accession Number
DB16853
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 479.02
Monoisotopic: 478.2023206
Chemical Formula
C28H31ClN2O3
Synonyms
Not Available
External IDs
  • AKA-213
  • AKA213
  • CI 45170
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
K7G5SCF8IL
CAS number
81-88-9
InChI Key
PYWVYCXTNDRMGF-UHFFFAOYSA-N
InChI
InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H
IUPAC Name
9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride
SMILES
[Cl-].CCN(CC)C1=CC2=C(C=C1)C(C1=CC=CC=C1C(O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC

References

General References
Not Available
KEGG Compound
C19517
ChemSpider
6439
RxNav
1362930
ChEBI
52334
ChEMBL
CHEMBL428971
Wikipedia
Rhodamine_B

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
Water Solubility0.000508 mg/mLALOGPS
logP1.34ALOGPS
logP1.78Chemaxon
logS-6ALOGPS
pKa (Strongest Acidic)3.5Chemaxon
pKa (Strongest Basic)4.34Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area52.78 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity157.92 m3·mol-1Chemaxon
Polarizability51.35 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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]-235.6125321
predicted
DarkChem Lite v0.1.0
[M-H]-201.92955
predicted
DeepCCS 1.0 (2019)
[M+H]+236.1026321
predicted
DarkChem Lite v0.1.0
[M+H]+204.32512
predicted
DeepCCS 1.0 (2019)
[M+Na]+235.8711321
predicted
DarkChem Lite v0.1.0
[M+Na]+210.23766
predicted
DeepCCS 1.0 (2019)

Drug created at July 25, 2022 17:09 / Updated at December 01, 2022 11:31