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Substance Name: Rutin sodium sulfate
RN: 12768-44-4
UNII: V5J3537PND
InChIKey: AEPKFYPUICCNAG-VBXOIZFTSA-L

Note

  • A flavonol glycoside found in many plants, including BUCKWHEAT; TOBACCO; FORSYTHIA; HYDRANGEA; VIOLA, etc. It has been used therapeutically to decrease capillary fragility.

Molecular Formula

  • C27-H29-O16.Na.H2-O4-S

Molecular Weight

  • 814.6082
 
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Names and Synonyms

Results Name

  • Rutin sodium sulfate

Name of Substance

  • Disodium rutinyl disulfate

Synonyms

  • CCRIS 1956
  • EINECS 235-805-8
  • Rutin sodium sulfate
  • UNII-V5J3537PND

Systematic Names

  • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, hydrogen sulfate, sodium salt
  • Rutin sodium sulfate

Registry Numbers

CAS Registry Number

  • 12768-44-4

FDA UNII

  • V5J3537PND

Other Registry Numbers

  • 28959-51-5
  • 29189-76-2

System Generated Number

  • 0012768444

Molecular Formulas

Molecular Formula

  • C27-H29-O16.Na.H2-O4-S

Molecular Formula Fragments

  • C27-H29-O16
  • COMPONENT
  • H2-O4-S
  • Na

Structure Descriptors

InChI

1S/C27H30O22S2.2Na/c1-8-17(30)20(33)22(35)26(44-8)43-7-15-18(31)21(34)23(36)27(46-15)47-25-19(32)16-13(45-24(25)9-2-3-11(28)12(29)4-9)5-10(48-50(37,38)39)6-14(16)49-51(40,41)42;;/h2-6,8,15,17-18,20-23,26-31,33-36H,7H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;/m0../s1

InChIKey

AEPKFYPUICCNAG-VBXOIZFTSA-L

Smiles

[Na+].[Na+].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OS(=O)(=O)[O-])cc(OS(=O)(=O)[O-])c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O