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Substance Name: Ammonium glycyrrhizate
RN: 53956-04-0
UNII: 3VRD35U26C
InChIKey: ILRKKHJEINIICQ-OOFFSTKBSA-N

Classification Codes

  • Mutation Data
  • Natural Product
  • Reproductive Effect

Molecular Formula

  • C42-H62-O16.H3-N

Molecular Weight

  • 839.966
 
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Names and Synonyms

Name of Substance

  • alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D- -glucopyranuronosyl-, ammoniate
  • Ammonium glycyrrhizate
  • Ammonium glycyrrhizinate
  • Glycyrrhizin, ammoniated

Synonyms

  • alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-,
  • Ammoniated glycyrrhizin
  • Ammonium glycyrrhizate
  • Ammonium glycyrrhizinate
  • CCRIS 1897
  • EINECS 258-887-7
  • FEMA No. 2528
  • Glycamil
  • Glycyrram
  • Glycyrrhizic acid, ammonium salt
  • Glycyrrhizic acid, monoammonium salt
  • Glycyrrhizin, ammoniated (Glycyrrhiza spp.)
  • Glycyrrhizinic acid, ammonium salt (1:1)
  • Monoammonium (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosidu
  • Monoammonium glycyrrhizate
  • Monoammonium glycyrrhizinate
  • NSC 2800
  • UNII-3VRD35U26C

Systematic Names

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

Superlist Name

  • Glycyrrhizin, ammoniated

Registry Numbers

CAS Registry Number

  • 53956-04-0

FDA UNII

  • 3VRD35U26C

Other Registry Numbers

  • 1208112-20-2
  • 1407-03-0
  • 202522-36-9
  • 42618-06-4
  • 52248-53-0
  • 97635-37-5

System Generated Number

  • 0053956040

Molecular Formulas

Molecular Formula

  • C42-H62-O16.H3-N

Molecular Formula Fragments

  • C42-H62-O16
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

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

InChIKey

ILRKKHJEINIICQ-OOFFSTKBSA-N

Smiles

C1([C@H]2[C@@]([C@@]3(C([C@H]4[C@@](CC[C@@](C4)(C(O)=O)C)(C)CC3)=C1)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)C(O)=O)[C@H]([C@H](O)[C@H](O1)C(O)=O)O)C)C)=O.N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 540mg/kg (540mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 449, 1987.
mouse LD50 oral 9818mg/kg (9818mg/kg)   Eksperimental'naya i Klinicheskaya Farmakologiya. Experimental and Clinical Pharmacology. Vol. 60(2), Pg. 65, 1997.
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 22, Pg. 449, 1987.
rat LD50 intraperitoneal > 300mg/kg (300mg/kg)   Eksperimental'naya i Klinicheskaya Farmakologiya. Experimental and Clinical Pharmacology. Vol. 60(2), Pg. 65, 1997.
rat LD50 oral > 10gm/kg (10000mg/kg)   Eksperimental'naya i Klinicheskaya Farmakologiya. Experimental and Clinical Pharmacology. Vol. 60(2), Pg. 65, 1997.