Suloctidil

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
Weight
Average: 337.57
Monoisotopic: 337.243935925
Chemical Formula
C20H35NOS
Synonyms
  • Suloctidil

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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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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.
DrugInteraction
IloprostIloprost may increase the hypotensive activities of Suloctidil.
Isosorbide mononitrateSuloctidil may increase the vasodilatory activities of Isosorbide mononitrate.
Patent BlueThe 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
ChemSpider
5036698
ChEMBL
CHEMBL1520837
ZINC
ZINC000008035369
Wikipedia
Suloctidil

Clinical Trials

Clinical Trials
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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
PropertyValueSource
Water Solubility0.000974 mg/mLALOGPS
logP5.54ALOGPS
logP5.61Chemaxon
logS-5.5ALOGPS
pKa (Strongest Acidic)13.87Chemaxon
pKa (Strongest Basic)9.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area32.26 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity103.99 m3·mol-1Chemaxon
Polarizability43.08 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-001i-3931000000-bd4741e5f9af113c4e60
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0169000000-de5eaba5f64bfe93f52b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-5900000000-b485aeaa5b1137e76e54
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0096-6591000000-12fd69d4e2aa249c78d4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-4920000000-6329e3ae80e6d4a46e3e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01r6-5960000000-94292a72e358b03cb747
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-4922000000-013c89c0e71eac1f1d97
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-197.68706
predicted
DeepCCS 1.0 (2019)
[M+H]+200.04507
predicted
DeepCCS 1.0 (2019)
[M+Na]+206.65654
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54