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Substance Name: Sinapine
RN: 18696-26-9
UNII: 09211A0HHL
InChIKey: HUJXHFRXWWGYQH-UHFFFAOYSA-O

Note

  • Black mustard seeds, seeds of Brassica nigra.

Molecular Formula

  • C16-H24-N-O5

Molecular Weight

  • 310.368
 
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Names and Synonyms

Name of Substance

  • Sinapine

Synonyms

  • 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium
  • 4-Hydroxy-3,5-dimethoxycinnamate choline
  • Sinapine
  • Sinapine bisulphate
  • UNII-09211A0HHL

Systematic Name

  • Ethanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-

Registry Numbers

CAS Registry Number

  • 18696-26-9

FDA UNII

  • 09211A0HHL

System Generated Number

  • 0018696269

Structure Descriptors

InChI

1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1

InChIKey

HUJXHFRXWWGYQH-UHFFFAOYSA-O

Smiles

Oc1c(cc(\C=C\C(OCC[N+](C)(C)C)=O)cc1OC)OC