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

General Information of Drug (ID: DR5123)
Drug Name
Atropine
Synonyms
dl-Hyoscyamine; Atropin; Atropen; dl-Tropyltropate; Atropinol; Atropina; Eyesules; Troyl tropate; Isopto-atropine; Atropin [German]; Atropina [Italian]; Atropin-flexiolen; (+,-)-Tropyl tropate; 51-55-8; DL-Tropyl tropate; Tropine, tropate (ester); Tropic acid, ester with tropine; Atropine sulfate; CCRIS 3080; Atropine (USP); Isopto Atropine; Tropic acid, 3-alpha-tropanyl ester; Atropt; HSDB 2199; DL-Tropanyl; Anaspaz; Atropair; Atrosulf; Belladenal; Cytospaz; Minims; Tropanol; Urised; Atropine Care; Atropine [BAN]; Atropinium cation; Hyoscyamine sulfate; Minims Atropine; OR22908; Atropen (TN); Bellergal-S; D1-hyoscyamine; Dl-Hyoscyamine; Dl-Tropyltropate; I-Tropine; NP-010662; Neo-Diophen; Ocu-Tropine; Protamine & Atropine; Atropinium(1+); Tropan-3alpha-ol; Tropan-3beta-ol; Atropine Sulfate SOP; DL-Tropanyl 2-hydroxy-1-phenylpropionate; Beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester [German]; Beta-Phenyl-gamma-oxypropionsaure-tropyl-ester [German]; Tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate; Endo-8-methyl-8-azabicyclo[321]octan-3-ol; B eta-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[321]oct-3-yl ester; [(1R,5S)-8-methyl-8-azabicyclo[321]octan-3-yl] 3-hydroxy-2-phenylpropanoate; [(1S,5R)-8-methyl-8-azabicyclo[321]oct-3-yl] 3-hydroxy-2-phenyl-propanoate; Endo-(+/-)-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[321]oct-3-yl ester; Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(321)oct-3-yl ester; (3-endo)-8-methyl-8-azabicyclo[321]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate; (3-endo)-8-methyl-8-azabicyclo[321]oct-3-yl 3-hydroxy-2-phenylpropanoate; (3-endo)-8-methyl-8-azabicyclo[321]oct-3-yl tropate; (3-endo)-8-methyl-8-azabicyclo[321]octan-3-ol; (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[321]octane; (3-exo)-8-methyl-8-azabicyclo[321]octan-3-ol; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester); 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester) (8CI); 1alphaH,5alphaH-Tropan-3alpha-ol; 1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester); 1alphaH,5alphaH-Tropan-3beta-ol; 2-Phenylhydracrylic acid 3-alpha-tropanyl ester; 8-Methyl-8-azabicyclo[321]oct-3-yl 3-hydroxy-2-phenylpropanoate; 8-Methyl-8-azabicyclo[321]oct-3-yl tropate; 8-Methyl-8-azabicyclo[321]octan-3-yl 3-hydroxy-2-phenylpropionate
Indication Organophosphate poisoning [ICD11: NE6Z] Approved [1]
Poison intoxication [ICD11: ICD11: NE6Z] Phase 1 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 289.4 Topological Polar Surface Area 49.8
Heavy Atom Count 21 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
174174
ChEBI ID
CHEBI:16684
CAS Number
51-55-8
TTD Drug ID
D0RG3O
Formula
C17H23NO3
Canonical SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey
RKUNBYITZUJHSG-PJPHBNEVSA-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
(+)-hyoscyamine DM018894 N. A. Unclear - Unclear 1 [3]
Atropine-N-oxide DM018893 N. A. Unclear - Unclear 1 [3]
Noratropine DM018892 N. A. Unclear - Unclear 1 [3]
Tropic acid DM005963
10726
Unclear - Unclear 1 [3]
Tropine DM005396
8424
Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011269 Atropine Noratropine Unclear - Unclear Unclear [3]
MR011270 Atropine Atropine-N-oxide Unclear - Unclear Unclear [3]
MR011271 Atropine Tropine Unclear - Unclear Unclear [3]
MR011272 Atropine Tropic acid Unclear - Unclear Unclear [3]
MR011273 Atropine (+)-hyoscyamine Unclear - Unclear Unclear [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: 320).
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: 320).
3 The metabolism of atropine in man

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