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Substance Name: Methyl glycyrrhetate
RN: 1477-44-7
InChIKey: RMIVRCBSQPCSCQ-BDANYOJNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H48-O4

Molecular Weight

  • 484.7162
 
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Names and Synonyms

Results Name

  • Methyl glycyrrhetate

Synonyms

  • Methyl 18-beta-glycyrrhetate
  • Methyl 18-beta-glycyrrhetinate
  • Methyl glycyrrhetate
  • Methyl glycyrrhetinate

Systematic Name

  • Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 1477-44-7

System Generated Number

  • 0001477447

Structure Descriptors

InChI

1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1

InChIKey

RMIVRCBSQPCSCQ-BDANYOJNSA-N

Smiles

COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 18, Pg. 168, 1966.