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

General Information of Drug (ID: DR1238)
Drug Name
ANW-56373
Synonyms
Acetaldehyde trimer; Paracetaldehyde; Acetaldehyde, trimer; Aldehyde (para); BBL011471; BRN 0080142; C07834; CAS-123-63-7; CHEBI:27909; CHEMBL1410743; CTK8B7103; D00705; DB09117; DEA No. 2585; DSSTox_CID_3419; DSSTox_GSID_23419; DSSTox_RID_77020; DTXSID9023419; EC 204-639-8; EINECS 204-639-8; Elaldehyde; F1908-0170; FEMA NO. 4010; FT-0650173; HSDB 3375; InChI=1/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H; J-523868; KS-00000W41; LS-2094; MFCD00036208; NCGC00159367-02; NCGC00159367-03; NCGC00159367-04; NCGC00257534-01; NSC 9799; NSC-9799; NSC9799; P0019; PARALDEHYDE; PCHO; Paraacetaldehyde; Paral; Paral (TN); Paraldehyd; Paraldehyd [German]; Paraldehyd(german); Paraldehyde (USP); Paraldehyde Draught (BPC 1973); Paraldehyde Enema (BPC 1973); Paraldehyde [UN1264] [Flammable liquid]; Paraldehyde [USAN]; Paraldehyde [USP]; Paraldehyde, >=97%; Paraldehyde, >=97.0% (GC); Paraldehyde, Lonza quality, >=99.5% (GC); Paraldehyde, United States Pharmacopeia (USP) Reference Standard; Paraldeide; Paraldeide [Italian]; Q424342; RCRA waste no. U182; RCRA waste number U182; RTR-003705; S6M3YBG8QA; SC-80270; SCHEMBL20072682; SCHEMBL22870; SQYNKIJPMDEDEG-UHFFFAOYSA-N; STL146583; TR-003705; Tox21_111607; Tox21_111607_1; Tox21_111608; Tox21_301299; Triacetaldehyde; Triacetaldehyde [French]; Trimethyl trioxane; UN 1264; UN1264; UNII-S6M3YBG8QA; UNII-S6M3YBG8QA component SQYNKIJPMDEDEG-FPFOFBBKSA-N; UNII-S6M3YBG8QA component SQYNKIJPMDEDEG-KXGDERBTSA-N; VS-02956; WLN: T6O CO EOTJ B1 D1 F1; ZINC1886; cis-2,4,6-Trimethyl-1,3,5-trioxane; p-Acetaldehyde; s-Trimethyltrioxymethane; s-Trimethyltrioxymethylene; s-Trioxane, 2,4,6-trimethyl-; s-Trioxane,4,6-trimethyl-; A805128; AB1002564; AI3-03115; AKOS000120195; ANW-56373
Indication Focal seizure [ICD11: 8A68] Phase 3 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 264.31 Topological Polar Surface Area 55.4
Heavy Atom Count 18 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
69643318
TTD Drug ID
D0P9EA
Formula
C12H24O6
Canonical SMILES
CC1OC(C)OC(C)O1
InChI
1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKey
HZNQDVRGURVIGV-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde dehydrogenase 2 (ALDH2) DME0077 Homo sapiens
ALDH2_HUMAN
1.2.1.3
[2]
References
1 ClinicalTrials.gov (NCT00116064) Intranasal Lorazepam Versus Intramuscular Paraldehyde in Paediatric Convulsions.
2 Paraldehyde. J Appl Toxicol. 1991 Oct;11(5):379-81.

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