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Dihydroergotamine mesylate structure, CAS 6190-39-2

Dihydroergotamine mesylate

CAS Number6190-39-2

SynonymsIkaran; EINECS 228-235-6; dihydroergotamine methane sulfonate salt; dihydroergotamine methanesulfonate; dolo[4,3-fg]quinoléine-9-carboxamide (1:1); Agit; Ergont; DET MS; MFCD00058615; dhe45; rboxamide methanesulfonate (salt); Diergo; Morena; Migranal

Molecular FormulaC34H41N5O8S

Molecular Weight679.783

Purity95%

Density

Boiling Point1001.8ºC at 760 mmHg

Melting Point232°C

Flash Point

Appearancewhite powder

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9010155 Purity: 95%
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Quality Control of [ 6190-39-2 ] Purity: 95% SDS Specification MoL

Chemical & Physical Properties
CAS Number6190-39-2
Catalog No.2A-9010155
Chinese Name双氢麦角胺甲磺酸盐
SynonymsIkaran; EINECS 228-235-6; dihydroergotamine methane sulfonate salt; dihydroergotamine methanesulfonate; dolo[4,3-fg]quinoléine-9-carboxamide (1:1); Agit; Ergont; DET MS; MFCD00058615; dhe45; rboxamide methanesulfonate (salt); Diergo; Morena; Migranal
Molecular FormulaC34H41N5O8S
Molecular Weight679.783
Purity95
Boiling Point1001.8ºC at 760 mmHg
Melting Point232°C
Appearancewhite powder
Water Solubilitymethanol: 21 mg/mL
Storage ConditionStore at RT
PackagingIII
ApplicationDihydroergotamine mesylate is an ergot alkaloid that can act on migraines.
SMILESCN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O
InChIInChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1
InChI KeyADYPXRFPBQGGAH-UMYZUSPBSA-N
Hazard Symbols6.1(b)
BioactivityDihydroergotamine mesylate is an ergot alkaloid used to treat migraines.Target: 5-HT ReceptorsDihydroergotamine is not as effective as sumatriptan or phenothiazines as a single agent for treatment of acute migraine headache; however, when administered with an antiemetic, dihydroergotamine appears to be as effective as opiates, ketorolac, or valproate. Given its nonnarcotic properties, parenteral dihydroergotamine combined with an antiemetic should be considered as effective initial therapy in clinical practice [1]. The introduction of the intranasal formulation of DHE provides both pharmacologic and patient-convenience advantages for use in migraine therapy [2, 3]. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease References [1]. Colman, I., et al., Parenteral dihydroergotamine for acute migraine headache: a systematic review of the literature. Ann Emerg Med, 2005. 45(4): p. 393-401. [2]. Saper, J.R., et al., DHE in the pharmacotherapy of migraine: potential for a larger role. Headache, 2006. 46 Suppl 4: p. S212-20. [3]. Schaerlinger, B., et al., Agonist actions of dihydroergotamine at 5-HT2B and 5-HT2C receptors and their possible relevance to antimigraine efficacy. Br J Pharmacol, 2003. 140(2): p. 277-84. Chemical & Physical Properties Boiling Point 1001.8ºC at 760 mmHg Melting Point 232°C Molecular Formula C34H41N5O8S Molecular Weight 679.783 Flash Point 559.7ºC Exact Mass 679.267578 PSA 180.96000 LogP 2.87050 Index of Refraction -20 ° (C=0.25, JP Method) InChIKey ADYPXRFPBQGGAH-UMYZUSPBSA-N SMILES CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21.CS(=O)(=O)O Storage condition Store at RT Water Solubility methanol: 21 mg/mL
Use ofDihydroergotamine mesylate is an ergot alkaloid used to treat migraines.Target: 5-HT ReceptorsDihydroergotamine is not as effective as sumatriptan or phenothiazines as a single agent for treatment of acute migraine headache; however, when administered with an antiemetic, dihydroergotamine appears to be as effective as opiates, ketorolac, or valproate. Given its nonnarcotic properties, parenteral dihydroergotamine combined with an antiemetic should be considered as effective initial therapy in clinical practice [1]. The introduction of the intranasal formulation of DHE provides both pharmacologic and patient-convenience advantages for use in migraine therapy [2, 3]. Properties Articles31 Name dihydroergotamine mesylate Synonym More Synonyms Dihydro Ergotamine Mesylate Biological Activity Description Dihydroergotamine mesylate is an ergot alkaloid used to treat migraines.Target: 5-HT ReceptorsDihydroergotamine is not as effective as sumatriptan or phenothiazines as a single agent for treatment of acute migraine headache; however, when administered with an antiemetic, dihydroergotamine appears to be as effective as opiates, ketorolac, or valproate. Given its nonnarcotic properties, parenteral dihydroergotamine combined with an antiemetic should be considered as effective initial therapy in clinical practice [1]. The introduction of the intranasal formulation of DHE provides both pharmacologic and patient-convenience advantages for use in migraine therapy [2, 3]. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease References [1]. Colman, I., et al., Parenteral dihydroergotamine for acute migraine headache: a systematic review of the literature. Ann Emerg Med, 2005. 45(4): p. 393-401. [2]. Saper, J.R., et al., DHE in the pharmacotherapy of migraine: potential for a larger role. Headache, 2006. 46 Suppl 4: p. S212-20. Chemical & Physical Properties Molecular Formula C34H41N5O8S Exact Mass 679.267578 PSA 180.96000 LogP 2.87050 InChIKey ADYPXRFPBQGGAH-UMYZUSPBSA-N Storage condition Store at RT
Transport InfoProduct Name: Dihydro Ergotamine Mesylate
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