dihydroergotamine mesylate
dihydroergotamine mesylate structure
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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 | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | dihydroergotamine mesylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | 20/21/22 |
| Safety Phrases | 36 |
| WGK Germany | 3 |
| RTECS | KE7920000 |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 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) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of dihydroergotamine mesylate? |
| A: Molecular weight of dihydroergotamine mesylate is 679.783. |
| Q: What is the InChIKey of dihydroergotamine mesylate? |
| A: InChIKey of dihydroergotamine mesylate is ADYPXRFPBQGGAH-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of dihydroergotamine mesylate? |
| A: Polar surface area (PSA) of dihydroergotamine mesylate is 180.96000. |
| Q: What is the LogP of dihydroergotamine mesylate? |
| A: LogP of dihydroergotamine mesylate is 2.87050. |
| Q: What is the molecular formula of dihydroergotamine mesylate? |
| A: Molecular formula of dihydroergotamine mesylate is C34H41N5O8S. |
| Q: What is the CAS number of dihydroergotamine mesylate? |
| A: CAS number of dihydroergotamine mesylate is 11032-41-0. |
| Q: What is the SMILES notation of dihydroergotamine mesylate? |
| A: SMILES notation of dihydroergotamine mesylate is CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O. |
| Q: What is the physical appearance of dihydroergotamine mesylate? |
| A: dihydroergotamine mesylate appears as powder | white. |
| Q: What is the English name of dihydroergotamine mesylate? |
| A: The English name of dihydroergotamine mesylate is dihydroergotamine mesylate. |
| Q: How is the water solubility of dihydroergotamine mesylate? |
| A: Water solubility of dihydroergotamine mesylate: methanol: 21 mg/mL. |