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6190-39-2

6190-39-2 structural image
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]

SAFETY INFORMATION

Signal word Warning
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
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.