DEXTROMETHORPHAN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC R05DA09
UNII 7355X3ROTS
EPA CompTox DTXSID3022908

Structure

InChI Key MKXZASYAUGDDCJ-NJAFHUGGSA-N
Smiles COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3
InChI
InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H25NO
Molecular Weight 271.4
AlogP 3.38
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 94.37
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- - - - 2
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 5
Membrane receptor
- - - 348 -
Other membrane protein
- 15.2-232 - 10-63 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -21.9-36.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 15.2-232 - 10-348 -
Homo sapiens
- - - - -21.9-94.37
Rattus norvegicus
- - - - 5

Environmental Exposure

Environmental Exposure Map
Countries
USA

Cross References

Resources Reference
ChEBI 4470
ChEMBL CHEMBL52440
DrugBank DB00514
DrugCentral 842
FDA SRS 7355X3ROTS
Guide to Pharmacology 6953
PharmGKB PA449273
SureChEMBL SCHEMBL29949
ZINC ZINC000003201907
CONTENTS