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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H62O16
Molecular Weight 822.9321
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOGLYCYRRHIZINIC ACID

SMILES

C[C@]12CC[C@@](C)(C[C@@H]1C3=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](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)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(O)=O

InChI

InChIKey=LPLVUJXQOOQHMX-IOHDZAKGSA-N
InChI=1S/C42H62O16/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)/t19-,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,34+,35+,38-,39+,40+,41-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula C42H62O16
Molecular Weight 822.9321
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Magnesium isoglycyrrhizinate is a magnesium salt form of isoglycyrrhizinate, a derivative of glycyrrhizic acid extracted from the roots of the plant Glycyrrhiza glabra. Magnesium isoglycyrrhizinate has anti-inflammatory, antioxidant and hepatoprotective activities. The drug is believed to be a free radical scavenger and to modulate the activity of hepatic enzymes. Magnesium isoglycyrrhizinate was investigated in clinical trials to restore hepatic impairments caused by chemotherapy drugs and as a treatment of chronic liver diseases.

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:25:33 GMT 2025
Edited
by admin
on Wed Apr 02 07:25:33 GMT 2025
Record UNII
80ARS2076G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-GLYCYRRHIZIN
Preferred Name English
ISOGLYCYRRHIZINIC ACID
Common Name English
18.ALPHA.-GLYCYRRHIZINIC ACID
Common Name English
(3.BETA.,18.ALPHA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.ALPHA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,18.ALPHA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
Systematic Name English
18.ALPHA.-GLYCYRRHIZIN
Common Name English
Code System Code Type Description
CAS
83896-44-0
Created by admin on Wed Apr 02 07:25:33 GMT 2025 , Edited by admin on Wed Apr 02 07:25:33 GMT 2025
PRIMARY
FDA UNII
80ARS2076G
Created by admin on Wed Apr 02 07:25:33 GMT 2025 , Edited by admin on Wed Apr 02 07:25:33 GMT 2025
PRIMARY
PUBCHEM
158471
Created by admin on Wed Apr 02 07:25:33 GMT 2025 , Edited by admin on Wed Apr 02 07:25:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID401314947
Created by admin on Wed Apr 02 07:25:33 GMT 2025 , Edited by admin on Wed Apr 02 07:25:33 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
PARENT -> DERIVATIVE
SALT/SOLVATE -> PARENT