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Substance Name: Ammonium glycyrrhizinate trihydrate
RN: 911217-00-0
UNII: 78NEL3149I
InChIKey: RSPXVECNDMCBGQ-QQRZNCSYSA-N

Molecular Formula

  • C42-H59-O16.2H+.3H2-O.H4-N

Molecular Weight

  • 894.0109
 
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Names and Synonyms

Name of Substance

  • Ammonium glycyrrhizinate trihydrate

Synonyms

  • alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-o-beta-D-glucopyranuronosyl-, monoammonium salt, trihydrate
  • Ammonium glycyrrhizinate trihydrate
  • Glycyrrhizic acid ammonium salt trihydrate
  • UNII-78NEL3149I

Registry Numbers

CAS Registry Number

  • 911217-00-0

FDA UNII

  • 78NEL3149I

System Generated Number

  • 0911217000

Structure Descriptors

InChI

1S/C42H62O16.H3N.3H2O/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);1H3;3*1H2/t19-,21?,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;;/m0..../s1

InChIKey

RSPXVECNDMCBGQ-QQRZNCSYSA-N

Smiles

N.O.O.O.CC1(C)[C@H](CC[C@@]2(C)C1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(=O)O