This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- SC 41930
- DrugBank Accession Number
- DB17101
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for SC 41930 (DB17101)
- Weight
- Average: 484.589
Monoisotopic: 484.246103499 - Chemical Formula
- C28H36O7
- Synonyms
- (+/-)-7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl-2h-1-benzopyran-2-carboxylic acid
- 2h-1-benzopyran-2-carboxylic acid, 7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl-
- 7-(3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxyl-3,4-dihydro-8-propyl-2h-1-benzopyran-2-carboxylic acid
- External IDs
- CGS-24115
- SC-41930
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- Analgesics
- Analgesics, Non-Narcotic
- Anti-Inflammatory Agents
- Anti-Inflammatory Agents, Non-Steroidal
- Antirheumatic Agents
- Heterocyclic Compounds, Fused-Ring
- Hormone Antagonists
- Hormones, Hormone Substitutes, and Hormone Antagonists
- Leukotriene Antagonists
- Peripheral Nervous System Agents
- Pyrans
- Sensory System Agents
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- EVH7O0422T
- CAS number
- 120072-59-5
- InChI Key
- ZVVCSBSDFGYRCB-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
- IUPAC Name
- 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
- SMILES
- CCCC1=C(OC)C(=CC=C1OCCCOC1=CC=C2CCC(OC2=C1CCC)C(O)=O)C(C)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0257533
- ChemSpider
- 102927
- BindingDB
- 50001610
- ChEMBL
- CHEMBL14823
Clinical Trials
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
Property Value Source Water Solubility 0.000812 mg/mL ALOGPS logP 5.21 ALOGPS logP 5.74 Chemaxon logS -5.8 ALOGPS pKa (Strongest Acidic) 3.7 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 91.29 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 133.49 m3·mol-1 Chemaxon Polarizability 53.8 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 14, 2022 21:12 / Updated at December 01, 2022 11:35