CAS No.71277-78-6,GLYCYRRHIZIC ACID TRISODIUM SALT HYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71277-78-6
Name:	GLYCYRRHIZIC ACID TRISODIUM SALT HYDRATE

Formula:	C₄₂H₅₉Na₃O₁₆
Molecular Weight:	889.93
Synonyms:	a-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-, trisodiumsalt (9CI);GM 1292;Glycyrrhizic acid trisodium salt;Trisodiumglycyrrhizinate;
Boiling Point:	945.8oC at 760 mmHg
Flash Point:	278.4oC
PSA:	284.76000
LogP:	-1.82280

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Specification

This chemical is called Trisodium glycyrrhizinate, and its CAS registry number is 71277-78-6. With the molecular formula of C₄₂H₅₉Na₃O₁₆, its product categories are Biochemistry; Disaccharides; Glycosides; Sugars. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Trisodium glycyrrhizinate can be summarised as followings: (1)#H bond acceptors: 16; (2)#H bond donors: 8; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 275.53 Å².

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C43H64O15.3Na.3H/c1-38(2)24-8-11-43(7)33(22(44)17-20-21-18-40(4,37(54)55)13-12-39(21,3)14-15-42(20,43)6)41(24,5)10-9-25(38)57-36-32(30(49)29(48)31(58-36)35(52)53)56-23-16-19(34(50)51)26(45)28(47)27(23)46;;;;;;/h17,19,21,23-33,36,45-49H,8-16,18H2,1-7H3,(H,50,51)(H,52,53)(H,54,55);;;;;;/t19-,21-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33+,36-,39+,40-,41-,42+,43+;;;;;;/m0....../s1/rC43H64O15.3HNa/c1-38(2)24-8-11-43(7)33(22(44)17-20-21-18-40(4,37(54)55)13-12-39(21,3)14-15-42(20,43)6)41(24,5)10-9-25(38)57-36-32(30(49)29(48)31(58-36)35(52)53)56-23-16-19(34(50)51)26(45)28(47)27(23)46;;;/h17,19,21,23-33,36,45-49H,8-16,18H2,1-7H3,(H,50,51)(H,52,53)(H,54,55);3*1H/t19-,21-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33+,36-,39+,40-,41-,42+,43+;;;/m0.../s1
2.Smiles:C1[C@@](C(O)=O)(C)C[C@@H]2[C@@](CC[C@@]3(C)C2=CC([C@H]2[C@@]3(CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O[C@H]2O[C@H](C(O)=O)[C@@H](O)[C@@H]([C@H]2O[C@H]2[C@@H]([C@H]([C@@H]([C@H](C2)C(=O)O)O)O)O)O)C)C)=O)(C)C1.[Na].[Na].[Na]

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	oral	> 10gm/kg (10000mg/kg)		Pharmaceutical Chemistry Journal Vol. 25, Pg. 201, 1991.
mouse	LD50	subcutaneous	1546mg/kg (1546mg/kg)		Yakkyoku. Pharmacy. Vol. 32, Pg. 1367, 1981.