Dihydroergotamine methanesulfonate

Product Code. 15485999

Brand: Thermo Scientific Alfa Aesar J63840.MC

Description

CAS: 6190-39-2 | C34H41N5O8S | 679.79 g/mol

Agonist at vascular serotonin receptors; partial agonist at alpha-adrenergic and dopamine D2 receptors

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

• Agonist at vascular serotonin receptors
• Partial agonist at alpha-adrenergic and dopamine D2 receptors

Specifications

Chemical Identifiers

• CAS: 6190-39-2
• Molecular Formula: C34H41N5O8S
• Molecular Weight (g/mol): 679.79
• MDL Number: MFCD00058615
• InChI Key: ADYPXRFPBQGGAH-UMYZUSPBSA-N
• Synonym: dihydroergotamine mesylate, dihydroergotamine methanesulfonate salt, dihydroergotoxine, prestwick_746, dihydroergotamine methanesulfonate salt, powder, dihydroergotamine mesilate, european pharmacopoeia ep reference standard, dihydroergotamine for peak identification, european pharmacopoeia ep reference standard, dihydroergotamine mesylate, united states pharmacopeia usp reference standard, 4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid, 6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8h-oxazolo 3,2-a pyrrolo 2,1-c pyrazin-2-yl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo 4,3-fg quinoline-9-carboxamide methanesulfonate
• PubChem CID: 6420006
• IUPAC Name: (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid
• SMILES: CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O

• Melting Point: 230°C to 235°C
• Color: Pink to White
• Quantity: 100 mg
• Merck Index: 14,3174
• Formula Weight: 679.78
• Physical Form: Powder
• Chemical Name or Material: Dihydroergotamine methanesulfonate

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SDS

RUO – Research Use Only