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

General Information of Drug (ID: DR5163)
Drug Name
Propantheline
Synonyms
Corrigast; Ercorax; Ercotina; Ketaman; Kivatin; Neometantyl; Neopepulsan; Pantas; Pantheline; Pervagal; Probanthine; Probantine; Prodixamon; Propantel; Propanthel; Propanthelinium; Propanthelinum; Bromure de propantheline; Bromuro de proantelina; PROPANTHELINE BROMIDE; Propantelina bromuro; Propantelina bromuro [DCIT];Propanthelini bromidum; P 8891; Bromure de propantheline [INN-French]; Bromuro de proantelina [INN-Spanish]; Pro-Banthine; Pro-Gastron; Propanthelini bromidum [INN-Latin]; SC-3171; Pro-Banthine (TN);Propantheline bromide (JP15/USP/INN); Propantheline bromide [USAN:INN:BAN:JAN]; Diisopropyl(2-hydroxyethyl)methylammonium bromide xanthene-9-carboxylate; Xanthene-9-carboxylic acid, ester with (2-hydroxyethyl)diisopropylmethylammonium bromide; Ammonium, (2-hydroxyethyl)diisopropylmethyl-, xanthene-9-carboxylate (ester); Ammonium, diisopropyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate; Methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium; Methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide; N-methyl-N-(1-methylethyl)-N-{2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl}propan-2-aminium bromide; (2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate; (2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate bromide; 2-Hydroxyethyl]diisopropylmethyl-ammonium bromide xanthene-9-carboxylate; 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-(2-((9H-xanthen-9-ylcarbonyl)oxy)ethyl)-, bromide; 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-(2-((9H-xanthen-9-ylcarbonyl)oxy)ethyl)-, bromide (1:1)
Indication Excessive sweating [ICD11: EE00] Approved [1]
Gastric ulcer [ICD11: ICD11: DA60] Approved [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 368.5 Topological Polar Surface Area 35.5
Heavy Atom Count 27 Rotatable Bond Count 7
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
4934
ChEBI ID
CHEBI:8481
CAS Number
298-50-0
TTD Drug ID
D0V5ZZ
Formula
C23H30NO3+
Canonical SMILES
CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C
InChI
InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1
InChIKey
VVWYOYDLCMFIEM-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
Hydroxypropontheline DM016952 N. A. Oxidation - Hydroxylation 1 [3]
Quoternary diisopropylmethyl ethanolamine DM016956 N. A. Unclear - Unclear 1 [3]
Xanthanoic acid DM015047
65736
Hydrolysis - Hydrolysis 1 [3]
Hydroxyonthonoic acid DM016953 N. A. Oxidation - Hydroxylation 2 [3]
Hydroxyonthonoic acid DM016953 N. A. Unclear - Unclear 2 [3]
Xanthanoyl glucuronide DM016955 N. A. Unclear - Unclear 2 [3]
Hydroxyonthanoly glucuronide DM016954 N. A. Unclear - Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007815 Propantheline Hydroxypropontheline Oxidation - Hydroxylation Unclear [3]
MR007818 Propantheline Xanthanoic acid Hydrolysis - Hydrolysis GUS [3]
MR007821 Propantheline Quoternary diisopropylmethyl ethanolamine Unclear - Unclear Unclear [3]
MR007816 Hydroxypropontheline Hydroxyonthonoic acid Unclear - Unclear Unclear [3]
MR007819 Xanthanoic acid Hydroxyonthonoic acid Oxidation - Hydroxylation Unclear [3]
MR007820 Xanthanoic acid Xanthanoyl glucuronide Unclear - Unclear Unclear [3]
MR007817 Hydroxyonthonoic acid Hydroxyonthanoly glucuronide Unclear - 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
Beta-glucuronidase (GUSB) DME0106 Homo sapiens
BGLR_HUMAN
3.2.1.31
[3]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 329).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 329).
3 Identification of some urinary metabolites of propantheline bromide in man

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