Doxylamine succinateProduct ingredient for Doxylamine
- Name
- Doxylamine succinate
- Drug Entry
- Doxylamine
Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in parkinsonism.
- Accession Number
- DBSALT001402
- Structure
Structure for Doxylamine succinate (DBSALT001402)
- Synonyms
- Doxylamine hydrogen succinate / Doxylamine succinate / Doxylamine succinate (1:1)
- UNII
- V9BI9B5YI2
- CAS Number
- 562-10-7
- Weight
- Average: 388.464
Monoisotopic: 388.19982201 - Chemical Formula
- C21H28N2O5
- InChI Key
- KBAUFVUYFNWQFM-UHFFFAOYSA-N
- 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)
- IUPAC Name
- butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
- SMILES
- OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
- External Links
- KEGG Drug
- D02327
- KEGG Compound
- C19414
- ChemSpider
- 10750
- ChEBI
- 82461
- ChEMBL
- CHEMBL1200392
- Wikipedia
- Doxylamine
- Predicted Properties
Property Value Source Water Solubility 0.541 mg/mL ALOGPS logP 2.9 ALOGPS logP 2.96 Chemaxon logS -2.7 ALOGPS pKa (Strongest Basic) 8.87 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 25.36 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 82.24 m3·mol-1 Chemaxon Polarizability 31.09 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon