Cas no 30341-92-5 (Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI))

Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI) structure
30341-92-5 structure
Product Name:Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI)
CAS No:30341-92-5
MF:C16H18N2O2
MW:270.326323986053
CID:313061
PubChem ID:21726051
Update Time:2025-04-19

Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ergoline-8-carboxylicacid, methyl ester, (8b)- (9CI)
    • ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER
    • methyl (6aR,9R,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate
    • ORIBUSCBDFDAIQ-MPKXVKKWSA-N
    • 30341-92-5
    • AC-14870
    • SCHEMBL1892716
    • Ergoline-8-carboxylic acid, methyl ester, (8beta)-
    • (6aR,9R,10aR)-methyl 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate
    • 8beta-methoxycarbonylergoline
    • Ergoline-8-carboxylic?acid,?methyl?ester
    • Inchi: 1S/C16H18N2O2/c1-20-16(19)10-5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18-8-10/h2-4,7,10,12,14,17-18H,5-6,8H2,1H3/t10-,12-,14-/m1/s1
    • InChI Key: ORIBUSCBDFDAIQ-MPKXVKKWSA-N
    • SMILES: O(C)C([C@H]1CN[C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2C1)=O

Computed Properties

  • Exact Mass: 270.13694
  • Monoisotopic Mass: 270.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 400
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 54.1?2

Experimental Properties

  • PSA: 54.12
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