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Substance Name: Acetagastrodine
RN: 64291-41-4
InChIKey: HGUDVDQXCUHOED-YMQHIKHWSA-N

Note

  • Isolated from Gastrodia elata Blume.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C21-H26-O11

Molecular Weight

  • 454.425
 
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Names and Synonyms

Name of Substance

  • Acetagastrodine

Synonyms

  • Acetagastrodin
  • Acetagastrodine

Systematic Name

  • beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, 2,3,4,6-tetro-O-acetate

Registry Numbers

CAS Registry Number

  • 64291-41-4

Other Registry Number

  • 105054-56-6

System Generated Number

  • 0064291414

Structure Descriptors

InChI

1S/C21H26O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-7-5-15(9-22)6-8-16/h5-8,17-22H,9-10H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1

InChIKey

HGUDVDQXCUHOED-YMQHIKHWSA-N

Smiles

O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)c1ccc(cc1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 18gm/kg (18000mg/kg)   Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 24, Pg. 244, 1989.