581-88-4
Product Name:
DEBRISOQUIN SULFATE
Formula:
C20H28N6O4S
Synonyms:
3,4-Dihydro-2(1H)-isoquinolinecarboximidamide;Debrisoquin sulfate;Ro 5-33071
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 138.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 448.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 448.18927457 g/mol |
| Monoisotopic Mass | 448.18927457 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 284 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |