Atropine sulfateProduct ingredient for Atropine
- Name
- Atropine sulfate
- Drug Entry
- Atropine
Atropine is an alkaloid originally synthesized from Atropa belladonna. It is a racemic mixture of d-and l-hyoscyamine, of which only l-hyoscyamine is pharmacologically active.3,8 Atropine is generally available as a sulfate salt and can be administered by intravenous, subcutaneous, intramuscular, intraosseous, endotracheal and ophthalmic methods. Oral atropine is only available in combination products.1,9 Atropine is a competitive, reversible antagonist of muscarinic receptors that blocks the effects of acetylcholine and other choline esters.1,5,6,8 It has a variety of therapeutic applications, including pupil dilation and the treatment of anticholinergic poisoning and symptomatic bradycardia in the absence of reversible causes.1 Atropine is a relatively inexpensive drug and is included in the World Health Organization List of Essential Medicines.4
- Accession Number
- DBSALT003103
- Structure
Structure for Atropine sulfate (DBSALT003103)
- Synonyms
- Atropine sulfate hydrate / Atropine sulfate monohydrate / Atropine sulphate hydrate / Atropine sulphate monohydrate
- UNII
- 03J5ZE7KA5
- CAS Number
- 5908-99-6
- Weight
- Average: 694.84
Monoisotopic: 694.313531612 - Chemical Formula
- C34H50N2O11S
- InChI Key
- JPKKQJKQTPNWTR-CHYDPLAESA-N
- InChI
- InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15+,16?;;
- IUPAC Name
- bis((1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate) sulfuric acid hydrate
- SMILES
- O.OS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1
- External Links
- ChemSpider
- 16498735
- ChEMBL
- CHEMBL3182372
- Wikipedia
- Atropine
- Predicted Properties
Property Value Source logP 1.57 Chemaxon pKa (Strongest Acidic) 15.15 Chemaxon pKa (Strongest Basic) 9.39 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 49.77 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 80.82 m3·mol-1 Chemaxon Polarizability 31.61 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon