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113-42-8

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Basic Information
CAS No.: 113-42-8
Name: METHYLERGONOVINE
Article Data: 8
Molecular Structure:
Molecular Structure of 113-42-8 (METHYLERGONOVINE)
Formula: C20H25 N3 O2
Molecular Weight: 339.437
Synonyms: Ergoline-8-carboxamide,9,10-didehydro-N-[1-(hydroxymethyl)propyl]-6-methyl-, [8b(S)]-;Ergoline-8b-carboxamide,9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-6-methyl- (8CI);Lysergamide,N-[(S)-1-(hydroxymethyl)propyl]- (6CI);D-Lysergic acid-(+)-1-hydroxy-2-butylamide;Ergometrine, methyl-;Methergen;Methylergobasin;Methylergobasine;Methylergobrevin;Methylergometrin;Methylergometrine;Methylergonovine;N-[a-(Hydroxymethyl)propyl]-D-lysergamide;Partergin;
EINECS: 204-027-0
Density: 1.28 g/cm3
Melting Point: 172-173℃ (decomposition)
Boiling Point: 638.4 °C at 760 mmHg
Flash Point: 339.9 °C
Safety: Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 68.36000
LogP: 2.25350
Raw Materials
100-46-9
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Chemistry

MF: C20H25N3O2
MW: 339.431400 g/mol 
Density: 1.28 g/cm3 
Flash Point: 339.9 °C 
Index of Refraction: 1.665 
Enthalpy of Vaporization: 99.09 kJ/mol 
Boiling Point: 638.4 °C at 760 mmHg 
Vapour Pressure: 3.6E-17 mmHg at 25°C
Synonyms: Methylergometrine ; 9,10-Didehydo-N-[(S)-1-(hydroxymethyl)propyl]-6-methylergoline-8β-carboxamide ; Methylergobasine ; Methylergobrevin
Following is the molecular structure of Methylergometrine (113-42-8):

Toxicity Data With Reference

1.    

orl-rat LD50:93 mg/kg

    27ZIAQ    Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,163.
2.    

ivn-rat LD50:23 mg/kg

    27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,100.
3.    

orl-mus LD50:187 mg/kg

    27ZIAQ    Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,163.
4.    

ivn-mus LD50:85 mg/kg

    27ZIAQ    Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,163.
5.    

ivn-rbt LD50:2600 µg/kg

    27ZIAQ    Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,163.

Safety Profile

Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.