DEXMETHYLPHENIDATE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4B3SC438HI
Parent Compound: DEXMETHYLPHENIDATE

Structure
InChI Key JUMYIBMBTDDLNG-OJERSXHUSA-N
Smile COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1.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/t12-,13-;/m1./s1

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(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 83-164 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 230 - 270 14

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
23.98
General disorders and administration site conditions
20.22
Nervous system disorders
15.99
Gastrointestinal disorders
4.96
Injury, poisoning and procedural complications
4.92
Skin and subcutaneous tissue disorders
3.88
Investigations
3.52
Cardiac disorders
3.21
Vascular disorders
3.15
Metabolism and nutrition disorders
2.75
Product issues
2.59
Respiratory, thoracic and mediastinal disorders
2.04

Cross References

Resources Reference
ChEMBL CHEMBL904
FDA SRS 4B3SC438HI
PubChem 154100
SureChEMBL SCHEMBL1649811
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