Dexamethasone metasulfobenzoate

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Dexamethasone metasulfobenzoate
Accession Number
DB14703
Type
Small Molecule
Groups
Approved, Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Dexamethasone m-sulfobenzoate
  • Dexamethasone-21-sulfobenzoate
Product Ingredients
IngredientUNIICASInChI Key
Dexamethasone sodium metasulfobenzoate4T1RAI19H83936-02-5RPBJOYICBFNIMN-RDWMNNCQSA-M
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Sofracort Eye/ear DropsDexamethasone sodium metasulfobenzoate (0.5 mg) + Framycetin sulfate (5 mg) + Gramicidin D (0.05 mg)Solution / dropsAuricular (otic); OphthalmicRoussel Canada Inc.1966-12-31Not applicableCanada
Categories
UNII
C67221CB9Q
CAS number
16978-57-7
Weight
Average: 576.63
Monoisotopic: 576.18293198
Chemical Formula
C29H33FO9S
InChI Key
TWQWRHIQRAZHPR-XNXCGYEVSA-N
InChI
InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1
IUPAC Name
3-({2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}carbonyl)benzene-1-sulfonic acid
SMILES
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C3=CC=CC(=C3)S(O)(=O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

Learn more
Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

Learn more
Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

Learn more
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
ChemSpider
56740
ChEMBL
CHEMBL3305965

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
Solution / dropsAuricular (otic); Ophthalmic
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0457 mg/mLALOGPS
logP1.87ALOGPS
logP1.22ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)-2.5ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area155.27 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity142.94 m3·mol-1ChemAxon
Polarizability57.93 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
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

Taxonomy

Classification
Not classified

Drug created on September 21, 2018 08:26 / Updated on July 13, 2019 01:01