Cas no 68353-23-1 (14-\u200bFormyldihydrorutaeca\u200brpine)

14-\u200bFormyldihydrorutaeca\u200brpine structure
68353-23-1 structure
Product Name:14-\u200bFormyldihydrorutaeca\u200brpine
CAS No:68353-23-1
MF:C20H18N2O2
MW:318.369124889374
CID:2028299
PubChem ID:133645867
Update Time:2025-04-21

14-\u200bFormyldihydrorutaeca\u200brpine Chemical and Physical Properties

Names and Identifiers

    • 14-Formyldihydrorutaecarpine
    • 14-formyl-8,13,13b,14-tetrahydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one
    • 14-Formyl-dihydrorutecarpin
    • 7,8,13,13b-Tetrahydro-5-oxoindolo[2',3':3,4]pyrido[2,1-b]quinazoline-14(5H)-carboxaldehyde
    • 14-Oxo-2,3,10,11,12,21-hexahydro-1H-yohimban-21-carbaldehyde
    • CID 133645867
    • 68353-23-1
    • 14-\u200bFormyldihydrorutaeca\u200brpine
    • Inchi: 1S/C20H18N2O2/c23-11-16-12-5-1-2-7-15(12)20(24)22-10-9-14-13-6-3-4-8-17(13)21-18(14)19(16)22/h1-8,11,14,16,18-19,21H,9-10H2
    • InChI Key: PFCOCSIZTVLBIJ-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C(C=O)C2C3C(C4C=CC=CC=4N3)CCN21

Computed Properties

  • Exact Mass: 317.11600
  • Monoisotopic Mass: 318.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 536
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 49.4?2

Experimental Properties

  • Density: 1.47±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (8.3E-4 g/L) (25 oC),
  • PSA: 56.41000
  • LogP: 3.48020

14-\u200bFormyldihydrorutaeca\u200brpine Security Information

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