DOXYLAMINE SUCCINATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1948)
Entry Type: Small molecule
Molecule Category: Parent
UNII: V9BI9B5YI2

Structure
InChI Key KBAUFVUYFNWQFM-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 25.36
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor 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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Postoperative Nausea and Vomiting 3 D020250 ClinicalTrials
Infections 1 D007239 ClinicalTrials
Rhinitis, Allergic, Seasonal 1 D006255 ClinicalTrials

Related Entries

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
21.47
Injury, poisoning and procedural complications
18.21
Nervous system disorders
16.29
Psychiatric disorders
14.81
Vascular disorders
3.95
Investigations
3.7
Cardiac disorders
3.65
Gastrointestinal disorders
3.36
Respiratory, thoracic and mediastinal disorders
2.37
Musculoskeletal and connective tissue disorders
2.17

Cross References

Resources Reference
ChEBI 82461
ChEMBL CHEMBL1200392
EPA CompTox DTXSID7020552
FDA SRS V9BI9B5YI2
KEGG C19414
PubChem 11224
SureChEMBL SCHEMBL160443
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