CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | WHITE AMORPHOUS POWDER |
|---|---|
| Taste | Very bitter taste |
| Melting Point | 74 °C |
| Solubility | MODERATELY SOL IN DILUTE AMMONIUM HYDROXIDE; SOL IN ETHER, ALCOHOL, ACETONE; SLIGHTLY SOL IN CHLOROFORM, BENZENE; INSOL IN GLACIAL ACETIC ACID; SOL IN 80% ACETIC ACID |
| Stability/Shelf Life | TURNS YELLOW ON EXPOSURE TO LIGHT AND HEAT. |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: -50 DEG @ 20 °C/D (CHLOROFORM, 2%) |
| Decomposition | When heated to decomposition it emits highly toxic fumes of /nitrogen oxides/. |
| pH | STRONG ALKALINE REACTION |
| Dissociation Constants | PK1 5.77; PK2 6.64 |
| Collision Cross Section | 219.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Contains water of crystallization varying from 3 to 8 H2O; clusters of needles after drying at 105 °C, MP: 235-255 °C (decomposition); specific optical rotation: +11 deg (concentration by volume = 1 g in 100 ml water); 1 g of the hydrated salt dissolves in about 7 ml water; pH of aq soln (1 g in 50 ml) 5.6; sol in alcohol. /Emetine dihydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 480.6 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 480.29880776 g/mol |
| Monoisotopic Mass | 480.29880776 g/mol |
| Topological Polar Surface Area | 52.2 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 679 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Emetine is a pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. It has a role as an antiprotozoal drug, a plant metabolite, an antiviral agent, an emetic, a protein synthesis inhibitor, an antimalarial, an antineoplastic agent, an autophagy inhibitor, an antiinfective agent, an expectorant, an anticoronaviral agent and an antiamoebic agent. It is a pyridoisoquinoline and an isoquinoline alkaloid. It is functionally related to a cephaeline. It is a conjugate base of an emetine(2+). It derives from a hydride of an emetan.