Product Name

  • Name

    2-chloro-6-methylergoline-8beta-acetonitrile monomethanesulphonate

  • EINECS
  • CAS No. 51473-23-5
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C17H20ClN3•CH4O3S
  • Boiling Point 528°Cat760mmHg
  • Molecular Weight 397.96
  • Flash Point 273.1°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, Cl−, CN−, and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 51473-23-5 (2-chloro-6-methylergoline-8beta-acetonitrile monomethanesulphonate)
  • Hazard Symbols
  • Synonyms 2-chloro-6-methylergoline-8beta-acetonitrile monomethanesulphonate
  • PSA 105.57000
  • LogP 4.21768

Lergotrile mesylate Chemical Properties

Empirical Formula of Lergotrile mesylate (CAS NO.51473-23-5): C18H22ClN3O3S
Molecular Weight: 395.9036 g/mol
EINECS: 257-225-4 
Flash Point: 359.1 °C
Enthalpy of Vaporization: 103.46 kJ/mol
Boiling Point: 670.2 °C at 760 mmHg
Vapour Pressure: 7.08E-19 mmHg at 25 °C
Structure of Lergotrile mesylate (CAS NO.51473-23-5):
                             
Canonical SMILES: CN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)Cl)CC#N.CS(=O)(=O)O
Isomeric SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC#N.CS(=O)(=O)O
InChI: InChI=1S/C17H18ClN3.CH4O3S/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14;1-5(2,3)4/h2-4,10,12,15,20H,5,7-9H2,1H3;1H3,(H,2,3,4)/t10-,12-,15-;/m1./s1
InChIKey: WXHDJVDIJQDJMK-AYJWUPBJSA-N

Lergotrile mesylate Toxicity Data With Reference

1.    

orl-rat LD50:290 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 33 (1975),197.
2.    

ipr-rat LD50:96 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 33 (1975),197.
3.    

orl-mus LD50:275 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 33 (1975),197.

Lergotrile mesylate Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Lergotrile mesylate Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition Lergotrile mesylate (CAS NO.51473-23-5) emits toxic fumes of SOx, Cl−, CN−, and NOx.

Lergotrile mesylate Specification

 Lergotrile mesylate , its cas register number is 51473-23-5. It also can be called 2-Chloro-6-methylergoline-8beta-acetonitrile monomethanesulfonate ; D-2-Chloro-6-methylergoline-8-beta-acetonitrile methanesulfonic acid salt ; Insulin, isophane [INN] ; and Ergoline-8-acetonitrile, 2-chloro-6-methyl-, (8beta)-, monomethanesulfonate .

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