Cas no 77477-94-2 (N-{1-[1,4-dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboxamide)

N-{1-[1,4-dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboxamide structure
77477-94-2 structure
Product Name:N-{1-[1,4-dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboxamide
CAS No:77477-94-2
MF:C31H39N5O4
MW:545.672467470169
CID:1786403
PubChem ID:157066
Update Time:2025-04-21

N-{1-[1,4-dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboxamide Chemical and Physical Properties

Names and Identifiers

    • N-{1-[1,4-dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboxamide
    • N-[1-(1,4-dioxo-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
    • N-{1-[1,4-dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergo
    • N-{1-[1,4-Dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboximidic acid
    • 77477-94-2
    • Ergocornam
    • Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-N-((1S)-2-methyl-1-(((3S,8aR)-tetrahydro-3-(1-methylethyl)-1,4-dioxopyrrolo(1,2-a)pyrazin-2(3H)-yl)carbonyl)propyl)-, (8beta)- 4
    • DTXSID20998672
    • Inchi： 1S/C31H39N5O4/c1-16(2)26(30(39)36-27(17(3)4)31(40)35-11-7-10-23(35)29(36)38)33-28(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-24(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26-27,32H,7,10-11,13,15H2,1-5H3,(H,33,37)
    • InChI Key： HGFXZZULRBUAON-UHFFFAOYSA-N
    • SMILES： CC(C(C(N1C(=O)C2N(CCC2)C(=O)C1C(C)C)=O)NC(C1C=C2C(CC3C4C(=CC=CC2=4)NC=3)N(C)C1)=O)C

Computed Properties

  • Exact Mass: 545.30020474g/mol
  • Monoisotopic Mass: 545.30020474g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 5
  • Complexity: 1100
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 106?2

N-{1-[1,4-dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboxamide Related Literature

Related Categories

77477-94-2 (N-{1-[1,4-dioxo-3-(propan-2-yl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-3-methyl-1-oxobutan-2-yl}-6-methyl-9,10-didehydroergoline-8-carboxamide) Related Products

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