This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Lodenafil carbonate
- DrugBank Accession Number
- DB11927
- Background
Lodenafil carbonate has been used in trials studying the treatment of Coronaropathy and Erectile Dysfunction.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Lodenafil carbonate (DB11927)
- Weight
- Average: 1035.21
Monoisotopic: 1034.410243212 - Chemical Formula
- C47H62N12O11S2
- Synonyms
- Lodenafil carbonate
Pharmacology
- Indication
Not Available
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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
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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
Products
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- Helleva
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzenesulfonamides
- Direct Parent
- Benzenesulfonamides
- Alternative Parents
- Benzenesulfonyl compounds / Pyrazolopyrimidines / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / N-alkylpiperazines / Pyrimidones / Carbonic acid diesters / Organosulfonamides / Sulfonyls show 8 more
- Substituents
- 1,4-diazinane / Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenesulfonamide / Benzenesulfonyl group / Carbonic acid derivative / Carbonic acid diester show 26 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 29X84F932D
- CAS number
- 398507-55-6
- InChI Key
- MVYUCRDXZXLFSB-UHFFFAOYSA-N
- InChI
- InChI=1S/C47H62N12O11S2/c1-7-11-35-39-41(54(5)52-35)45(60)50-43(48-39)33-29-31(13-15-37(33)67-9-3)71(63,64)58-21-17-56(18-22-58)25-27-69-47(62)70-28-26-57-19-23-59(24-20-57)72(65,66)32-14-16-38(68-10-4)34(30-32)44-49-40-36(12-8-2)53-55(6)42(40)46(61)51-44/h13-16,29-30H,7-12,17-28H2,1-6H3,(H,48,50,60)(H,49,51,61)
- IUPAC Name
- bis{2-[4-(4-ethoxy-3-{1-methyl-7-oxo-3-propyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}benzenesulfonyl)piperazin-1-yl]ethyl} carbonate
- SMILES
- CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(CCOC(=O)OCCN2CCN(CC2)S(=O)(=O)C2=CC=C(OCC)C(=C2)C2=NC3=C(N(C)N=C3CCC)C(=O)N2)CC1
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Erectile Dysfunction 1 4 Withdrawn Treatment Coronaropathy / Erectile Dysfunction 1
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 0.0928 mg/mL ALOGPS logP 3.65 ALOGPS logP 2.9 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 7.6 Chemaxon pKa (Strongest Basic) 5.47 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 16 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 253.79 Å2 Chemaxon Rotatable Bond Count 20 Chemaxon Refractivity 294.85 m3·mol-1 Chemaxon Polarizability 109.77 Å3 Chemaxon Number of Rings 8 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 313.06638 predictedDeepCCS 1.0 (2019) [M+H]+ 314.85196 predictedDeepCCS 1.0 (2019) [M+Na]+ 321.11905 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:01 / Updated at February 21, 2021 18:53