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Substance Name: Methyl beta-glycyrrhetinate
RN: 5092-01-3
InChIKey: RMIVRCBSQPCSCQ-SFGZHJQGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H48-O4

Molecular Weight

  • 484.716
 
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Names and Synonyms

Results Name

  • Methyl beta-glycyrrhetinate

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 5092-01-3

System Generated Number

  • 0005092013

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-/m1/s1

InChIKey

RMIVRCBSQPCSCQ-SFGZHJQGSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)OC)C[C@H]5C4=CC([C@H]3[C@@]2(C1)C)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 18, Pg. 168, 1966.