85008-71-5
Product Name:
DANTROLENE
Formula:
C14H10N4O5
Synonyms:
1-{{[5-(4-Nitrophenyl)-2-furanyl]methylene}amino}-2,4-imidazolidinedione;Dantrolene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Crystals (in aqueous DMF). (NTP, 1992) |
|---|---|
| Color/Form | CRYSTALS FROM AQ DIMETHYLFORMAMIDE |
| Melting Point | 534 to 536 °F (NTP, 1992) |
| Solubility | SLIGHTLY SOL IN WATER; MORE SOL IN ALKALINE SOLN; ORANGE POWDER /DANTROLENE SODIUM SALT HEMIHEPTAHYDRATE/ |
| Stability/Shelf Life | STABLE IN LIGHT, AIR & HEAT; HYDROLYZES IN WATER /DANTROLENE SODIUM SALT HYDRATE/ |
| Dissociation Constants | PKA ABOUT 7.5 (FREE ACID) |
| Other Experimental Properties | ODORLESS; TASTELESS /DANTROLENE SODIUM SALT HYDRATE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 314.25 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 314.06511943 g/mol |
| Monoisotopic Mass | 314.06511943 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 524 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Crystals (in aqueous DMF). (NTP, 1992)