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Substance Name: Olean-12-en-30-oic acid, 3-beta-hydroxy-, hydrogen maleate (ester), sodium salt
RN: 85559-57-5
InChIKey: ODDWAOOFXJGRAU-PBTFXEGJSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H51-O6.x-Na

Molecular Weight

  • 598.7272
 
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Names and Synonyms

Synonym

  • 11-Deoxoglycyrrhetinic acid hydrogen maleate sodium salt

Systematic Name

  • Olean-12-en-30-oic acid, 3-beta-hydroxy-, hydrogen maleate (ester), sodium salt

Registry Numbers

CAS Registry Number

  • 85559-57-5

System Generated Number

  • 0085559575

Molecular Formulas

Molecular Formula

  • C34-H51-O6.x-Na

Molecular Formula Fragments

  • C34-H51-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H50O6.2Na/c1-29(2)23-12-15-34(7)24(32(23,5)14-13-25(29)40-27(37)11-10-26(35)36)9-8-21-22-20-31(4,28(38)39)17-16-30(22,3)18-19-33(21,34)6;;/h8,10-11,22-25H,9,12-20H2,1-7H3,(H,35,36)(H,38,39);;/q;2*+1/p-2/b11-10+;;/t22-,23?,24?,25+,30-,31-,32+,33-,34-;;/m1../s1

InChIKey

ODDWAOOFXJGRAU-PBTFXEGJSA-L

Smiles

C[C@]12CC[C@@](C[C@@H]1C3=CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 67800ug/kg (67.8mg/kg)   European Patent Application. Vol. #69380,
rat LD50 intravenous 54200ug/kg (54.2mg/kg)   European Patent Application. Vol. #69380,
rat LD50 oral > 6gm/kg (6000mg/kg)   European Patent Application. Vol. #69380,
rat LD50 subcutaneous 98300ug/kg (98.3mg/kg)   European Patent Application. Vol. #69380,