1,2-Distearoyllecithin

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

Identification

Brand Names
Lumason
Generic Name
1,2-Distearoyllecithin
DrugBank Accession Number
DB14099
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
Thumb
Weight
Average: 790.161
Monoisotopic: 789.624755796
Chemical Formula
C44H88NO8P
Synonyms
  • 1,2-Distearoyl-sn-glycero-3-phosphocholine
  • 1,2-Distearoylphosphatidylcholine
  • Dioctadecanoyl phosphatidylcholine
  • Dioctadecanoyllecithin
  • Distearoyl-DL-phosphatidylcholine

Pharmacology

Indication

Not Available

Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:
Machine Learning
Data Science
Drug Discovery
Accelerate your drug discovery research with our fully connected ADMET dataset
Learn more
Contraindications & Blackbox Warnings
Contraindications
Contraindications & Blackbox Warnings
With our commercial data, access important information on dangerous risks, contraindications, and adverse effects.
Learn more
Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
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
Medicalerrors
Reduce medical errors
and improve treatment outcomes with our comprehensive & structured data on drug adverse effects.
Learn more
Reduce medical errors & improve treatment outcomes with our adverse effects data
Learn more
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
No interactions found.

Products

Products
Comprehensive & structured drug product info
From application numbers to product codes, connect different identifiers through our commercial datasets.
Learn more
Easily connect various identifiers back to our datasets
Learn more
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
LumaSon1,2-Distearoyllecithin (.19 mg/1mg) + Sodium 1,2-Dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (.19 mg/1mg) + Sulfur hexafluoride (60.7 mg/1mg)KitIntravenous; IntravesicalBracco Suisse SA2015-01-15Not applicableUS flag
LumaSon1,2-Distearoyllecithin (.19 mg/1mg) + Sodium 1,2-Dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (.19 mg/1mg) + Sulfur hexafluoride (60.7 mg/1mg)Injection, powder, lyophilized, for suspensionIntravenous; IntravesicalBracco Diagnostics Inc2021-04-01Not applicableUS flag
LumaSon1,2-Distearoyllecithin (.19 mg/1mg) + Sodium 1,2-Dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (.19 mg/1mg) + Sulfur hexafluoride (60.7 mg/1mg)KitIntravenous; IntravesicalBracco Diagnostics Inc2015-01-15Not applicableUS flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Glycerophospholipids
Sub Class
Glycerophosphocholines
Direct Parent
Phosphatidylcholines
Alternative Parents
Phosphocholines / Fatty acid esters / Dialkyl phosphates / Dicarboxylic acids and derivatives / Tetraalkylammonium salts / Carboxylic acid esters / Organopnictogen compounds / Organic salts / Organic oxides / Hydrocarbon derivatives
show 2 more
Substituents
Aliphatic acyclic compound / Alkyl phosphate / Amine / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Diacylglycero-3-phosphocholine / Dialkyl phosphate / Dicarboxylic acid or derivatives / Fatty acid ester
show 14 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
a phosphatidylcholine (L-1-LECITHIN)
Affected organisms
Not Available

Chemical Identifiers

UNII
EAG959U971
CAS number
4539-70-2
InChI Key
NRJAVPSFFCBXDT-UHFFFAOYSA-N
InChI
InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3
IUPAC Name
(2-{[2,3-bis(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

References

General References
Not Available
ChemSpider
58655
RxNav
1426933
ChEMBL
CHEMBL113644

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Enrolling by InvitationDiagnosticCrohn's Disease (CD)1
4RecruitingDiagnosticAbdominal Injuries / Accidental Fall / Motor Vehicle Injury / Physical Abuse1
4RecruitingDiagnosticHepatic Disease1
4RecruitingDiagnosticRenal Malignant Tumor1
4RecruitingDiagnosticTrauma Abdomen1
4TerminatedDiagnosticLiver Biopsy1
4WithdrawnDiagnosticBone Marrow Transplant Complications / Sinusoidal Obstruction Syndrome (SOS) / Stem Cell Transplant Complications / Veno Occlusive Disease, Hepatic1
4WithdrawnDiagnosticNeonatal Post-Hemorrhagic Hydrocephalus1
3CompletedDiagnosticCoronary Artery Disease (CAD)2
3TerminatedDiagnosticCardiovascular Disease (CVD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, powder, lyophilized, for suspensionIntravenous; Intravesical
KitIntravenous; Intravesical
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US5686060No1997-11-112017-11-11US flag
US10232061No2019-03-192038-07-06US flag
US10335502No2019-07-022038-07-06US flag

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.16e-05 mg/mLALOGPS
logP5.92ALOGPS
logP9.89ChemAxon
logS-7.6ALOGPS
pKa (Strongest Acidic)1.86ChemAxon
pKa (Strongest Basic)-6.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area111.19 Å2ChemAxon
Rotatable Bond Count44ChemAxon
Refractivity234.27 m3·mol-1ChemAxon
Polarizability98.65 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on June 18, 2018 18:57 / Updated on June 12, 2020 16:53