METHYLPHENIDATE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1955)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4B3SC438HI
Parent Compound: METHYLPHENIDATE

Structure
InChI Key JUMYIBMBTDDLNG-UHFFFAOYSA-N
Smile COC(=O)C(c1ccccc1)C1CCCCN1.Cl
InChI
InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20ClNO2
Molecular Weight 269.77
AlogP 2.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 38.33
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dopamine transporter inhibitor PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 20-122 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 3 D003866 ClinicalTrials
Fatigue 3 D005221 ClinicalTrials
Tobacco Use Disorder 3 D014029 ClinicalTrials
Sleep Wake Disorders 2 D012893 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Conduct Disorder 1 D019955 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 1 D020528 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 1 D020529 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
23.71
Nervous system disorders
16.34
General disorders and administration site conditions
15.41
Injury, poisoning and procedural complications
7.6
Gastrointestinal disorders
4.3
Cardiac disorders
4.3
Vascular disorders
3.52
Investigations
3.5
Respiratory, thoracic and mediastinal disorders
2.86
Metabolism and nutrition disorders
2.81
Skin and subcutaneous tissue disorders
2.7
Musculoskeletal and connective tissue disorders
2.62

Cross References

Resources Reference
ChEBI 31836
ChEMBL CHEMBL1722
EPA CompTox DTXSID8020886
FDA SRS 4B3SC438HI
KEGG D07806
SureChEMBL SCHEMBL41067
CONTENTS