DEXMETHYLPHENIDATE

Search structure
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06BA11
UNII: M32RH9MFGP

Structure
InChI Key DUGOZIWVEXMGBE-CHWSQXEVSA-N
Smile COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1
InChI
InChI=1S/C14H19NO2/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/t12-,13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19NO2
Molecular Weight 233.31
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

Primary Target
DAT
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
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Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 40431-64-9
ChEBI 51860
ChEMBL CHEMBL827
DrugBank DB06701
DrugCentral 836
EPA CompTox DTXSID70893769
FDA SRS M32RH9MFGP
Human Metabolome Database HMDB0015647
Guide to Pharmacology 7554
PubChem 154101
SureChEMBL SCHEMBL34326
ZINC ZINC000000896711
CONTENTS