113-15-5

• 

• Basic information

  1. Product Name: ergotamine
  2. Synonyms: 12’-hydroxy-2’-methyl-5’alpha-(phenylmethyl)ergotaman-3’,6’,18-trione;18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-6(5’alpha)-ergotaman-3;6’,18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-ergotaman-3(5’-alph;ergotamin;ergotamine;Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'α)-;Ergotamine (8CI);NSC 95090
  3. CAS NO:113-15-5
  4. Molecular Formula: C₃₃H₃₅N₅O₅
  5. Molecular Weight: 581.6615
  6. EINECS: 204-023-9
  7. Product Categories: Organics
  8. Mol File: 113-15-5.mol
  9. Article Data: 1

• Chemical Properties

  1. Melting Point: 241-249℃
  2. Boiling Point: 651.33°C (rough estimate)
  3. Flash Point: 506.9 °C
  4. Appearance: /
  5. Density: 1.0998 (rough estimate)
  6. Vapor Pressure: 0mmHg at 25°C
  7. Refractive Index: 1.7500 (estimate)
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. PKA: pKa 6.40±0.09(H2O t=24.0) (Uncertain)
  11. CAS DataBase Reference: ergotamine(CAS DataBase Reference)
  12. NIST Chemistry Reference: ergotamine(113-15-5)
  13. EPA Substance Registry System: ergotamine(113-15-5)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. RIDADR: 1544
  5. WGK Germany:
  6. RTECS:
  7. HazardClass: 6.1(b)
  8. PackingGroup: III
  9. Hazardous Substances Data: 113-15-5(Hazardous Substances Data)

• Suppliers
• Usage
• SDS
• Upstream product
• Downstream Products
• News
• Article

113-15-5 Suppliers

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113-15-5 Usage

Uses

Analgesic (specific in migraine).

Definition

ChEBI: A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.

Brand name

Ergomar (Harvest);Ergostat (Parke-Davis); Wigrettes (Organon).

Purification Methods

Crystallise it from *benzene, then dry it by prolonged heating in high vacuum. It is very hygroscopic. [Beilstein 25 III/IV 964.]

Check Digit Verification of cas no

The CAS Registry Mumber 113-15-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 3 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 113-15:
(5*1)+(4*1)+(3*3)+(2*1)+(1*5)=25
25 % 10 = 5
So 113-15-5 is a valid CAS Registry Number.

InChI:InChI=1/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1

113-15-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name	ergotamine

1.2 Other means of identification

Product number	-
Other names	ergotamin

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:113-15-5 SDS

113-15-5Upstream product

• 113-15-5 ergotamine 

113-15-5Downstream Products

• 561-93-3 5'α-benzyl-10,12'-dihydroxy-2'-methyl-(10β)-9,10-dihydro-ergotamane-18,3',6'-trione 
• 468-88-2 5'α-benzyl-10,12'-dihydroxy-2'-methyl-(10α)-9,10-dihydro-ergotamane-18,3',6'-trione 
• 511-12-6 5'α-benzyl-12'-hydroxy-2'-methyl-(8βH,10β)-9,10-dihydro-ergotamane-18,3',6'-trione 
• 83541-18-8 5'α-benzyl-12'-hydroxy-2'-methyl-(8βH,10α)-9,10-dihydro-ergotamane-18,3',6'-trione 
• 596-86-1 5'α-benzyl-10,12'-dihydroxy-2'-methyl-(8βH,10β)-9,10-dihydro-ergotamane-18,3',6'-trione 
• 561-92-2 5'α-benzyl-10,12'-dihydroxy-2'-methyl-(8βH,10α)-9,10-dihydro-ergotamane-18,3',6'-trione 
• 113-15-5 ergotaminine 
• 639-81-6 ergotaminine 
• 52897-74-2 5'α-benzyl-3,12'-dihydroxy-2'-methyl-(3β)-3H-ergotamane-2,18,3',6'-tetraone 
• 511-12-6 9,10-dihydroergotamine 

113-15-5Related news

Modulatory effect of the 5-HT1A agonist buspirone and the mixed non-hallucinogenic 5-HT1A/2A agonist ergotamine (cas 113-15-5) on psilocybin-induced psychedelic experience08/29/2019

The mixed serotonin (5-HT) 1A/2A/2B/2C/6/7 receptor agonist psilocybin dose-dependently induces an altered state of consciousness (ASC) that is characterized by changes in sensory perception, mood, thought, and the sense of self. The psychological effects of psilocybin are primarily mediated by ...detailed

Sensitive ergotamine (cas 113-15-5) determination in pharmaceuticals and biological samples using cloud point preconcentration and spectrofluorimetric detection08/27/2019

A new cloud point extraction (CPE) method for ergotamine analysis using fluorimetric detection is described. Ergotamine from an aqueous solution was preconcentrated into a smaller surfactant-rich phase using nonionic surfactant polyoxyethylene(7.5)nonylphenylether (PONPE 7.5). Differently from t...detailed

Cardiovascular pharmacologyPharmacological identification of α1- and α2-adrenoceptor subtypes involved in the vasopressor responses induced by ergotamine (cas 113-15-5) in pithed rats08/23/2019

Ergotamine has been used in clinical practice for the acute treatment of migraine for over 90 years. So far, it is known that ergotamine interacts with diverse receptors (including α1/2-adrenoceptors, 5-HT1, 5-HT2 and D2-like receptors) and that produces increases in mean blood pressure which a...detailed

Neuropharmacology and analgesiaRole of 5-HT5A and 5-HT1B/1D receptors in the antinociception produced by ergotamine (cas 113-15-5) and valerenic acid in the rat formalin test08/22/2019

Sumatriptan, dihydroergotamine and methysergide inhibit 1% formalin-induced nociception by activation of peripheral 5-HT1B/1D receptors. This study set out to investigate the pharmacological profile of the antinociception produced by intrathecal and intraplantar administration of ergotamine (a 5...detailed

113-15-5Relevant articles and documents

Conformational analysis of the ergot alkaloids ergotamine and ergotaminine

Pierri,Pitman,Rae,Winkler,Andrews

, p. 937 - 942 (2007/10/02)

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