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Grundinformationen
- CAS
6190-39-2- Standard-SMILES
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O- InChIKey
ADYPXRFPBQGGAH-UMYZUSPBSA-N- Summenformel
- C34H41N5O8S
- Durchschnittliche Molmasse
- 679,796 g/mol
- Monoisotopische Masse
- 679,26758427
Namen und Bezeichner
- Bevorzugter Name
- Dihydroergotamine mesylate
- IUPAC
- Methanesulfonic acid--5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-10alpha-9,10-dihydroergotaman (1/1)
- Lokaler Name
- Dihydroergotaminmesilat
- Englischer Name
- Dihydroergotamine mesylate
- Summenformel
- C33H37N5O5.CH4O3S
- Molmasse
- 679.79
Namen und Synonyme
detmsAgitdhe45MT 300DET MSDHE-45DiergoErgontIkaranMorena
Datenbank-Bezeichner
- CAS
6190-39-2- PubChem CID
- 71171
- DTXSID
DTXSID00904615- ChEMBL
CHEMBL1200517- ChEBI
CHEBI:59756- UNII
- 81AXN7R2QT
- EC Number
- 228-235-6
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 232 °C · 232°C
- Brechungsindex
- -20 ° · -20 ° (C=0.25, JP Method)
- storage temp.
- Store at RT
- Löslichkeit
- 21 mg/mL · methanol: 21 mg/mL
- Aggregatzustand
- powder
- Farbe
- white
- Merck
- 14 · 14,3174
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months.
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- ADYPXRFPBQGGAH-WVVAGBSPSA-N
- SMILES
- CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1C[C@H](CN2C)C(=O)N[C@]5(C)O[C@]6(O)N([C@@H](Cc7ccccc7)C(=O)N8CCC[C@@]68[H])C5=O)c34
- CAS Datenbank
- 6190 · 6190-39-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- ridadr
- 1544
- hs_code
- 2939690000
- RTECS-Nr.
- KE7920000
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 Inhalation
Chemie und Industrie
Anwendungen
Verwendenα-Androgenic blocker with selective venoconstrictor properties. Also binds to serotonin 5HT1-receptors. Antimigraine.
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Ergänzende Hinweise
DefinitionChEBI: The methanesulfonic acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the mesylate and the tartrate salts are used for the treatment of migraine and orthostatic hypotens on.
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