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Substance Name: Aconine hydrobromide sesquihydrate
RN: 25378-38-5
UNII: 4R83R8903H
InChIKey: VEGQBBZZXIDUOZ-JKOLYEEPSA-N

Molecular Weight

  • 1215.062
 
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Names and Synonyms

Name of Substance

  • Aconine hydrobromide sesquihydrate

Synonyms

  • Aconine hydrobromide sesquihydrate [MI]
  • Aconine, hydrobromide, sesquihydrate
  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, hydrobromide, hydrate (2:3), (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-
  • UNII-4R83R8903H

Registry Numbers

CAS Registry Number

  • 25378-38-5

FDA UNII

  • 4R83R8903H

System Generated Number

  • 0025378385

Structure Descriptors

InChI

1S/2C25H41NO9.2BrH.3H2O/c2*1-6-26-9-22(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;;;;;/h2*11-21,27-31H,6-10H2,1-5H3;2*1H;3*1H2/t2*11-,12-,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+,25-;;;;;/m11...../s1

InChIKey

VEGQBBZZXIDUOZ-JKOLYEEPSA-N

Smiles

O.O.O.Br.Br.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.CCN7C[C@]8(COC)[C@H](O)C[C@H](OC)[C@@]9%10[C@@H]%11C[C@@]%12(O)[C@H](O)[C@@H]%11[C@](O)([C@@H](O)[C@@H]%12OC)[C@@H]([C@H](OC)[C@H]89)[C@@H]7%10