630-60-4
Product Name:
G-STROPHANTHIN
Formula:
C29H44O12
Synonyms:
1β,3β,5β,11α,14,19-Hexahydroxycard-20(22)-enolide 3-(6-deoxy-α-L -mannopyranoside);Acocantherine;G-Strophanthin;Ouabain octahydrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Ouabain appears as odorless, white crystals or crystalline powder as an octahydrate. Used to produce rapid digitalization in acute congestive heart failure. Also recommended in treatment of atrial or nodal paroxysmal tachycardia and atrial flutter. (EPA, 1998) |
|---|---|
| Color/Form | Crystals from water |
| Melting Point | 392 °F (EPA, 1998) |
| Solubility | 10300 mg/L |
| LogP | -2 |
| Optical Rotation | Specific optical rotation (c = 1 calculated as anhydrous form): -31 deg to -32.5 deg at 25 °C/D /Ouabain octahydrate/ |
| Decomposition | Melts with decomposition at 190 °C. |
| Collision Cross Section | 234 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | Hygroscopic |
COMPUTED DESCRIPTORS
| Molecular Weight | 584.7 g/mol |
|---|---|
| XLogP3 | -1.7 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 4 |
| Exact Mass | 584.28327683 g/mol |
| Monoisotopic Mass | 584.28327683 g/mol |
| Topological Polar Surface Area | 207 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1080 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| 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
Ouabain appears as odorless, white crystals or crystalline powder as an octahydrate. Used to produce rapid digitalization in acute congestive heart failure. Also recommended in treatment of atrial or nodal paroxysmal tachycardia and atrial flutter. (EPA, 1998)