Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2364)
Drug Name
Doxylamine succinate
Synonyms
Decapryn; Decapryn Succinate; Decapryn succinate (1:1); Doxy-sleep-aid; Doxylamine (succinate); Doxylamine hydrogen succinate; Doxylamine succinate; Doxylamine succinate (1:1); Doxylamine succinate [USP]; Doxylamine succinate salt; Evigoa D; Alsadorm; Gittalun; Hoggar N; Mereprine; Sedaplus; Unisom; 2-Dimethylaminoethoxyphenylmethyl-2-picoline succinate (1:1); 562-10-7; AI3-23993; CCRIS 4811; CHEBI:82461; Dimethylaminoethoxy-methyl-benzyl-pyridine succinate; EINECS 209-228-7; MLS000028417; NSC 74772; A-H Injection; NSC-74772
Indication Insomnia [ICD11: 7A00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 388.5 Topological Polar Surface Area 100
Heavy Atom Count 28 Rotatable Bond Count 9
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
11224
ChEBI ID
CHEBI:82461
CAS Number
562-10-7
Formula
C21H28N2O5
Canonical SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O
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)
InChIKey
KBAUFVUYFNWQFM-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Acid(2a) DM006228
54542070
Unclear 1 [3]
Alcohol(2c) DM006229 N. A. Unclear 1 [3]
Desmethyl Doxylamine DM006226
4713262
Unclear 1 [3]
Doxylamine N-Oxide DM006230 N. A. Unclear 1 [3]
Dldesmethyl Doxylamine DM006227
140212043
Unclear 2 [3]
Acid(2a) DM006228
54542070
Unclear 3 [3]
Alcohol(2c) DM006229 N. A. Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006679 Doxylamine succinate Desmethyl Doxylamine Unclear Unclear [3]
MR006683 Doxylamine succinate Doxylamine N-Oxide Unclear Unclear [3]
MR006684 Doxylamine succinate Acid(2a) Unclear Unclear [3]
MR006685 Doxylamine succinate Alcohol(2c) Unclear Unclear [3]
MR006680 Desmethyl Doxylamine Dldesmethyl Doxylamine Unclear Unclear [3]
MR006681 Dldesmethyl Doxylamine Acid(2a) Unclear Unclear [3]
MR006682 Dldesmethyl Doxylamine Alcohol(2c) Unclear Unclear [3]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1362 Bacteroides caccae Not Available Not Available [2]
References
1 Doxylamine succinate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.
3 Metabolism of 14C-labeled doxylamine succinate (Bendectin) in the rhesus monkey (Macaca mulatta)

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