Cas no 15794-93-1 (5H-Cyclopenta[c]pyridinium,6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-(9CI))

5H-Cyclopenta[c]pyridinium,6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-(9CI) structure
15794-93-1 structure
Product Name:5H-Cyclopenta[c]pyridinium,6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-(9CI)
CAS No:15794-93-1
MF:C18H22NO2
MW:284.3727850914
CID:156891
PubChem ID:73456709
Update Time:2025-04-19

5H-Cyclopenta[c]pyridinium,6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 5H-Cyclopenta[c]pyridinium,6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-(9CI)
    • 5H-2-Pyrindinium,6,7-dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl- (8CI)
    • 5H-2-Pyrindinium,6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-
    • Alkaloid B, from Valeriana officinalis
    • 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium (S)
    • DTXSID401112505
    • 15794-93-1
    • 5H-2-Pyrindinium, 6,7-dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-, (S)-
    • 5H-Cyclopenta[c]pyridinium, 6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-
    • 4-[2-[4-(hydroxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl]ethyl]phenol
    • 4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-5H,6H,7H-cyclopenta[c]pyridin-2-ium
    • CHEBI:143035
    • 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium
    • Inchi： 1S/C18H21NO2/c1-13-2-7-17-15(12-20)10-19(11-18(13)17)9-8-14-3-5-16(21)6-4-14/h3-6,10-11,13,20H,2,7-9,12H2,1H3/p+1/t13-/m0/s1
    • InChI Key： XLWXLZKPQFKGJS-ZDUSSCGKSA-O
    • SMILES： OCC1=C[N+](CCC2C=CC(=CC=2)O)=CC2=C1CC[C@@H]2C

Computed Properties

  • Exact Mass: 284.165053945g/mol
  • Monoisotopic Mass: 284.165053945g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 327
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 44.3?2

5H-Cyclopenta[c]pyridinium,6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-(9CI) Related Literature

Related Categories

15794-93-1 (5H-Cyclopenta[c]pyridinium,6,7-dihydro-4-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-, (S)-(9CI)) Related Products

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