This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Suloctidil
- DrugBank Accession Number
- DB13340
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Suloctidil (DB13340)
- Weight
- Average: 337.57
Monoisotopic: 337.243935925 - Chemical Formula
- C20H35NOS
- Synonyms
- Suloctidil
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
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.
Drug Interaction Integrate drug-drug
interactions in your softwareIloprost Iloprost may increase the hypotensive activities of Suloctidil. Isosorbide mononitrate Suloctidil may increase the vasodilatory activities of Isosorbide mononitrate. Patent Blue The therapeutic efficacy of Suloctidil can be decreased when used in combination with Patent Blue. - Food Interactions
- Not Available
Categories
- ATC Codes
- C04AX19 — Suloctidil
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenylpropanes
- Direct Parent
- Phenylpropanes
- Alternative Parents
- Thiophenol ethers / Aralkylamines / Alkylarylthioethers / Secondary alcohols / 1,2-aminoalcohols / Sulfenyl compounds / Dialkylamines / Hydrocarbon derivatives / Aromatic alcohols
- Substituents
- 1,2-aminoalcohol / Alcohol / Alkylarylthioether / Amine / Aralkylamine / Aromatic alcohol / Aromatic homomonocyclic compound / Aryl thioether / Hydrocarbon derivative / Organic nitrogen compound
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- XV1N1XY17K
- CAS number
- 54767-75-8
- InChI Key
- BFCDFTHTSVTWOG-PXNSSMCTSA-N
- InChI
- InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m0/s1
- IUPAC Name
- (1R,2S)-2-(octylamino)-1-[4-(propan-2-ylsulfanyl)phenyl]propan-1-ol
- SMILES
- CCCCCCCCN[C@@H](C)[C@H](O)C1=CC=C(SC(C)C)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 5036698
- ChEMBL
- CHEMBL1520837
- ZINC
- ZINC000008035369
- Wikipedia
- Suloctidil
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 0.000974 mg/mL ALOGPS logP 5.54 ALOGPS logP 5.61 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 13.87 Chemaxon pKa (Strongest Basic) 9.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 32.26 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 103.99 m3·mol-1 Chemaxon Polarizability 43.08 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-001i-3931000000-bd4741e5f9af113c4e60 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0169000000-de5eaba5f64bfe93f52b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004r-5900000000-b485aeaa5b1137e76e54 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0096-6591000000-12fd69d4e2aa249c78d4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-4920000000-6329e3ae80e6d4a46e3e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01r6-5960000000-94292a72e358b03cb747 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-4922000000-013c89c0e71eac1f1d97 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 197.68706 predictedDeepCCS 1.0 (2019) [M+H]+ 200.04507 predictedDeepCCS 1.0 (2019) [M+Na]+ 206.65654 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54