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Chemical Product CAS:2126-78-5Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-6-methyl-, (8a)-

Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-6-methyl-, (8a)-

  • CAS No:

  • Name:

    Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-6-methyl-, (8a)-
  • Molecular Formula:

    C20H25 N3 O
  • Molecular Weight:

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Ergoline-8-carboxamide,9,10-didehydro-N,N-die ( CASNO:2126-78-5 )

Identification and Related Records
Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-6-methyl-, (8a)-
CAS Registry number:
Iupac name:
Isolysergamide,N,N-diethyl- (6CI,7CI)
Indolo[4,3-fg]quinoline, ergoline-8-carboxamide deriv.
(+)-Isolysergic acid diethylamide
D-Isolysergic acid diethylamide
D-iso-Lysergic acid N,N-diethylamide
Isolysergic aciddiethylamide
Molecular Formula:
C20H25 N3 O
Molecular Weight:
Canonical SMILES:
Isomers smiles:
Chemical and Physical Properties
Boiling Point:
8.82E-12mmHg at 25°C
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:323.432 [g/mol]
Molecular Formula:C20H25N3O
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:323.199762
MonoIsotopic Mass:323.199762
Topological Polar Surface Area:39.3
Heavy Atom Count:24
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:4
Effective Rotor Count:4.8
Conformer Sampling RMSD:0.8
CID Conformer Count:9
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