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Substance Name: Aconine hydrochloride dihydrate
RN: 6168-69-0
UNII: FVI93ET7ZH
InChIKey: HOKDGIWXBUZEMJ-WFMOIOHDSA-N

Note

  • Alkaloid isolated from Aconitum carmichaeli.

Molecular Weight

  • 572.0874
 
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Names and Synonyms

Name of Substance

  • Aconine hydrochloride dihydrate

Synonyms

  • Aconine hydrochloride dihydrate [MI]
  • Aconine, hydrochloride, dihydrate
  • UNII-FVI93ET7ZH

Registry Numbers

CAS Registry Number

  • 6168-69-0

FDA UNII

  • FVI93ET7ZH

System Generated Number

  • 0006168690

Structure Descriptors

InChI

1S/C25H41NO9.ClH.2H2O/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24;;;/h11-21,27-31H,6-10H2,1-5H3;1H;2*1H2/t11-,12-,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+,25-;;;/m1.../s1

InChIKey

HOKDGIWXBUZEMJ-WFMOIOHDSA-N

Smiles

O.O.Cl.CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](O)[C@@H]5[C@](O)([C@@H](O)[C@@H]6OC)[C@@H]([C@H](OC)[C@H]23)[C@@H]14