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Substance Name: Alkaloid B, from Valeriana officinalis
RN: 15794-93-1
InChIKey: XLWXLZKPQFKGJS-ZDUSSCGKSA-O

Molecular Formula

  • C18-H22-N-O2

Molecular Weight

  • 284.3768
 
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Names and Synonyms

Results Name

  • Alkaloid B, from Valeriana officinalis

Synonym

  • 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium (S)

Systematic Name

  • 5H-2-Pyrindinium, 6,7-dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-, (S)-

Registry Numbers

CAS Registry Number

  • 15794-93-1

Other Registry Numbers

  • 11044-13-6
  • 11044-18-1

System Generated Number

  • 0015794931

Structure Descriptors

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

InChIKey

XLWXLZKPQFKGJS-ZDUSSCGKSA-O

Smiles

C[C@H]1CCc2c1c[n+](cc2CO)CCc3ccc(cc3)O