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Substance Name: Diammonium glycyrrhizinate
RN: 79165-06-3
UNII: A9ZZD585U6
InChIKey: SPPIIOPGDLITJE-VLQRKCJKSA-N

Molecular Formula

  • C42-H62-O16.2H3-N

Molecular Weight

  • 856.9972
 
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Names and Synonyms

Name of Substance

  • Diammonium glycyrrhizinate

MeSH Heading

  • Glycyrrhizic acid

Synonyms

  • 18beta-Glycyrrhizic acid diammonium salt
  • Diammonium glycyrrhizinate
  • Glycyrrhizic acid, diammonium salt
  • UNII-A9ZZD585U6

Systematic Name

  • alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, ammonium salt (1:2)

Registry Numbers

CAS Registry Number

  • 79165-06-3

FDA UNII

  • A9ZZD585U6

Other Registry Number

  • 31939-42-1

System Generated Number

  • 0079165063

Structure Descriptors

InChI

1S/C42H62O16.2H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);2*1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1

InChIKey

SPPIIOPGDLITJE-VLQRKCJKSA-N

Smiles

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.N.N