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Substance Name: alpha-Glycyrrhizin
RN: 83896-44-0
InChIKey: LPLVUJXQOOQHMX-IOHDZAKGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H62-O16

Molecular Weight

  • 822.936
 
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Names and Synonyms

Results Name

  • alpha-Glycyrrhizin

Synonyms

  • 18-alpha-Glycyrrhizic acid
  • 18-alpha-Glycyrrhizin
  • 18-alpha-Glycyrrhizinic acid
  • alpha-Glycyrrhizin

Systematic Names

  • 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-
  • alpha-D-Glucopyranosiduronic acid, (3beta,18alpha,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-

Registry Numbers

CAS Registry Number

  • 83896-44-0

System Generated Number

  • 0083896440

Structure Descriptors

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

InChIKey

LPLVUJXQOOQHMX-IOHDZAKGSA-N

Smiles

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(O)=O)O)O)O)O[C@H]1[C@@H](O[C@@H]2C([C@@H]3CC[C@@]4(C)[C@@]5(CC[C@@]6(CC[C@](C[C@H]6C5=CC(=O)[C@H]4[C@@]3(CC2)C)(C)C(O)=O)C)C)(C)C)O[C@@H]([C@H](O)[C@@H]1O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 912mg/kg (912mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 28, Pg. 215, 1993.
mouse LD50 oral 6460mg/kg (6460mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 28, Pg. 215, 1993.