dihydroergotamine mesylate structure
|
Common Name | dihydroergotamine mesylate | ||
|---|---|---|---|---|
| CAS Number | 11032-41-0 | Molecular Weight | 679.783 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C34H41N5O8S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | dihydroergotamine mesylate |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C34H41N5O8S |
|---|---|
| Molecular Weight | 679.783 |
| Exact Mass | 679.267578 |
| PSA | 180.96000 |
| LogP | 2.87050 |
| Appearance of Characters | powder | white |
| InChIKey | ADYPXRFPBQGGAH-UHFFFAOYSA-N |
| SMILES | CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O |
| Water Solubility | methanol: 21 mg/mL |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | 20/21/22 |
| Safety Phrases | 36 |
| WGK Germany | 3 |
| RTECS | KE7920000 |
| ergotaman, 9,10-dihydro-12'-hydroxy-2'-methyl-3',6',18-trioxo-5'-(phenylmethyl)-, (5α,5'α,8α)-, methanesulfonate (1:1) (salt) |
| Ergotaman, 9,10-dihydro-12'-hydroxy-2'-methyl-3',6',18-trioxo-5'-(phenylmethyl)-, (5'α)-, methanesulfonate (1:1) (salt) |
| (5α,5'α,8α)-5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (1:1) |
| (5'α)-5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (1:1) |