DIMENHYDRINATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Mixture
UNII JB937PER5C
EPA CompTox DTXSID9025087

Structure

InChI Key NFLLKCVHYJRNRH-UHFFFAOYSA-N
Smiles CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
InChI
InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28ClN5O3
Molecular Weight 469.97

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 62.27-87.72
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 62.27-87.72

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 94848
ChEMBL CHEMBL1200406
DrugBank DB00985
FDA SRS JB937PER5C
PDB H33
PubChem 10660
SureChEMBL SCHEMBL5128
ZINC ZINC05124023
CONTENTS