CID 11722041

Base Information

• Chemical Name: CID 11722041
• CAS No.: 68083-53-4
• Deprecated CAS: 1208112-20-2,1407-03-0,202522-36-9,42618-06-4,52248-53-0,97635-37-5
• Molecular Formula: C₄₂H₆₂O₁₆*H₃N
• Molecular Weight: 839.975
• European Community (EC) Number: 258-887-7
• DSSTox Substance ID: DTXSID501340458
• Mol file: 68083-53-4.mol

Synonyms:53956-04-0;Monoammonium glycyrrhizinate;Glycyrrhizic acid triammonium salt;triazanium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate;DTXSID501340458;a-D-Glucopyranosiduronic acid,(3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl2-O-b-D-glucopyranuronosyl-, monoammonium salt

Chemical Property of CID 11722041

Chemical Property:

• Boiling Point: 971.4°Cat760mmHg
• Flash Point: 288.1°C
• PSA: 270.28000
• Density: g/cm³
• LogP: 2.56950
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 4
• Exact Mass: 873.48343319
• Heavy Atom Count: 61
• Complexity: 1710

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)[O-])C)C)C)C.[NH4+].[NH4+].[NH4+]
• Isomeric 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-].[NH4+].[NH4+].[NH4+]
• Recent EU Clinical Trials: A double blind, randomized, placebo-controlled, three-arm, phase II study to investigate the safety and efficacy of oral glycyrrhizin (Glycyron? tablets) for the treatment of gingivitis