DOXYLAMINE SUCCINATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII V9BI9B5YI2
EPA CompTox DTXSID7020552

Structure

InChI Key KBAUFVUYFNWQFM-UHFFFAOYSA-N
Smiles CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O
InChI
InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28N2O5
Molecular Weight 388.46
AlogP 2.92
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 25.36
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed Wikipedia
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
- - - - 108.84
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 108.84

Target Conservation

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

Cross References

Resources Reference
ChEBI 82461
ChEMBL CHEMBL1200392
FDA SRS V9BI9B5YI2
KEGG C19414
PubChem 11224
SureChEMBL SCHEMBL160443
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