51-55-8
Product Name:
Atropine
Formula:
C17H23NO3
Synonyms:
Atropine;Atropine solution;endo-(±)-α-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester;Hyoscyamine;Tropine tropate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Long, orthorhombic prisms from acetone |
|---|---|
| Melting Point | 118.5 °C |
| Solubility | >43.4 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 1.83 |
| LogS | -2.12 |
| Stability/Shelf Life | SENSITIVE TO LIGHT. |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| pH | pH of 0.0015 molar soln: 10.0 |
| Dissociation Constants | 9.84 |
| Collision Cross Section | 171.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | Sublimes in high vacuum at 93-110 °C |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P284:Wear respiratory protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 289.4 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 289.16779360 g/mol |
| Monoisotopic Mass | 289.16779360 g/mol |
| Topological Polar Surface Area | 49.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 353 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Atropine is a racemate composed of equimolar concentrations of (S)- and (R)-atropine. It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. It has a role as a muscarinic antagonist, an anaesthesia adjuvant, an anti-arrhythmia drug, a mydriatic agent, a parasympatholytic, a bronchodilator agent, a plant metabolite, an antidote to sarin poisoning and a oneirogen. It contains a (S)-atropine and a (R)-atropine.