CHEMICAL AND PHYSICAL PROPERTIES
| Melting Point | 205 °C |
|---|---|
| Solubility | 178000 mg/L |
| LogS | -0.02 |
COMPUTED DESCRIPTORS
| Molecular Weight | 185.22 g/mol |
|---|---|
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 185.10519334 g/mol |
| Monoisotopic Mass | 185.10519334 g/mol |
| Topological Polar Surface Area | 60.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 231 |
| 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
Ecgonine is a tropane alkaloid that consists of tropane bearing carboxy and hydroxy substituents at positions 2 and 3 respectively and having (1R,2R,3S,5S)-configuration. It is both a metabolite of and a precursor to cocaine. It has a role as a metabolite and a mouse metabolite. It is a tropane alkaloid and a 2-hydroxy monocarboxylic acid.