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Substance Name: Dioscin
RN: 19057-60-4
UNII: 3B95U4OLWV
InChIKey: VNONINPVFQTJOC-IOJPLSKKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H72-O16

Molecular Weight

  • 869.048
 
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Names and Synonyms

Name of Substance

  • Dioscin

Synonyms

  • CCRIS 4123
  • Collettiside III
  • Dioscine
  • Diosgenin bis-alpha-L-rhamnopyranosyl)-(1-2 and 1-4)-beta-D-glucopyranoside
  • UNII-3B95U4OLWV

Systematic Names

  • beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-
  • Dioscin (6CI,7CI,8CI)

Registry Numbers

CAS Registry Number

  • 19057-60-4

FDA UNII

  • 3B95U4OLWV

System Generated Number

  • 0019057604

Structure Descriptors

InChI

1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27?,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

InChIKey

VNONINPVFQTJOC-IOJPLSKKSA-N

Smiles

O1[C@H]([C@@H]([C@@H](O)[C@H](O)[C@@H]1O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@@H]5[C@H](C[C@@H]4[C@@H]3CC=C2C1)O[C@@]1([C@H]5C)CC[C@@H](C)CO1)C)C)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 300mg/kg (300mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #91-271224,