6190-39-2
Product Name:
DIHYDROERGOTAMINE MESYLATE
Formula:
C33H37N5O5.CH4O3S
Synonyms:
Dihydroergotamine methanesulfonate salt
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CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 227.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 679.8 g/mol |
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Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Exact Mass | 679.26758446 g/mol |
Monoisotopic Mass | 679.26758446 g/mol |
Topological Polar Surface Area | 181 Ų |
Heavy Atom Count | 48 |
Formal Charge | 0 |
Complexity | 1260 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 7 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dihydroergotamine mesylate is 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 hypotension. It has a role as a serotonergic agonist, a non-narcotic analgesic and a vasoconstrictor agent. It contains a dihydroergotamine.