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67658-42-8

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Basic Information
CAS No.: 67658-42-8
Name: 2-[(8beta,10xi)-6-ethylergolin-8-yl]acetamide 2,3-dihydroxybutanedioate (salt)
Molecular Structure:
Molecular Structure of 67658-42-8 (2-[(8beta,10xi)-6-ethylergolin-8-yl]acetamide 2,3-dihydroxybutanedioate (salt))
Formula: C18H23N3O•C4H6O6
Molecular Weight: 447.54
Boiling Point: 567°C at 760 mmHg
Flash Point: 296.7°C
Safety: Poison by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
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  • (8-β)-6-ETHYLERGOLINE-8-ACETAMIDE TARTRATE

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    67658-42-8

    (8-β)-6-ETHYLERGOLINE-8-ACETAMIDE TARTRATE

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  • (8-β)-6-ETHYLERGOLINE-8-ACETAMIDE TARTRATE

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    67658-42-8

    (8-β)-6-ETHYLERGOLINE-8-ACETAMIDE TARTRATE

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Chemistry

Molecular Structure of (8-beta)-6-Ethylergoline-8-acetamide tartrate (CAS NO. 67658-42-8):

Systematic Name: Ergoline-8-acetamide, 6-ethyl-, (8-beta)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)  
Molecular Formula: C22H29N3O7
Molecular Weight: 447.481560 g/mol
H-Bond Donor: 6
H-Bond Acceptor: 8
Isomeric SMILES: CCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(=O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C18H23N3O.C4H6O6/c1-2-21-10-11(7-17(19)22)6-14-13-4-3-5-15-18(13)12(9-20-15)8-16(14)21;5-1(3(7)8)2(6)4(9)10/h3-5,9,11,14,16,20H,2,6-8,10H2,1H3,(H2,19,22);1-2,5-6H,(H,7,8)(H,9,10)/t11-,14?,16+;1-,2-/m01/s1
InChIKey: AIDLZXIROZMUHT-FJZFASHUSA-N
Flash Point: 296.7 °C
Polar Surface Area: 28.48 Å2
Boiling Point: 567 °C at 760 mmHg
Enthalpy of Vaporization: 85.12 kJ/mol
Vapour Pressure of (8-beta)-6-Ethylergoline-8-acetamide tartrate (CAS NO. 67658-42-8): 7.14E-13 mmHg at 25 °C

Toxicity Data With Reference

1.    

orl-rat LD50:38,500 µg/kg

     CCCCAK    Collection of Czechoslovak Chemical Communications. 44 (1979),3385.

Safety Profile

Poison by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.

Specification

  (8-beta)-6-Ethylergoline-8-acetamide tartrate with cas registry number of 67658-42-8 is also called for Ergoline-8-acetamide, 6-ethyl-, (8-beta)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) .