Product Name

  • Name

    disodium (3beta,5xi,9xi,18alpha)-3-{[(2E)-3-carboxylatoprop-2-enoyl]oxy}olean-12-en-29-oate

  • EINECS
  • CAS No. 85559-57-5
  • Density
  • Solubility
  • Melting Point
  • Formula C34H50 O6 . x Na
  • Boiling Point 649.2°C at 760 mmHg
  • Molecular Weight 598.7209
  • Flash Point 198.1°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Na2O.
  • Risk Codes
  • Molecular Structure Molecular Structure of 85559-57-5 (disodium (3beta,5xi,9xi,18alpha)-3-{[(2E)-3-carboxylatoprop-2-enoyl]oxy}olean-12-en-29-oate)
  • Hazard Symbols
  • Synonyms 11-Deoxoglycyrrhetinicacid hydrogen maleate sodium salt
  • PSA
  • LogP

11-Deoxoglycyrrhetinic Acid Hydrogen Maleate Sodium Salt Chemical Properties

Chemistry informtion about 11-Deoxoglycyrrhetinic Acid Hydrogen Maleate Sodium Salt(CAS NO.85559-57-5) is:
IUPAC Name: disodium(2R,4aS,6aS,6bR,10S,12aR,14bS)-2,4a,6a,6b,9,9,12a-heptamethyl-10-[(E)-4-oxido-4-oxobut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
Synonyms: 11-Deoxoglycyrrhetinic acid hydrogen maleate sodium salt 
Systematic Name: Olean-12-en-30-oic acid, 3-beta-hydroxy-, hydrogen maleate(ester), sodium salt 
Molecular Weight: 598.72086 [g/mol]
Molecular Formula: C34H48Na2O6
Flash Point: 198.1 °C
Enthalpy of Vaporization: 104.39 kJ/mol
Boiling Point: 649.2 °C at 760 mmHg
Vapour Pressure: 1.59E-18 mmHg at 25°C
Following is the molecular structure of 11-Deoxoglycyrrhetinic Acid Hydrogen Maleate Sodium Salt(CAS NO.85559-57-5) is:

11-Deoxoglycyrrhetinic Acid Hydrogen Maleate Sodium Salt Toxicity Data With Reference

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,

11-Deoxoglycyrrhetinic Acid Hydrogen Maleate Sodium Salt Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Na2O.

11-Deoxoglycyrrhetinic Acid Hydrogen Maleate Sodium Salt Specification

Descriptors Computed from Structure about 11-Deoxoglycyrrhetinic Acid Hydrogen Maleate Sodium Salt(CAS NO.85559-57-5) is:
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC(=O)C=CC(=O)[O-])C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+]
Isomeric 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+]
InChI: 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

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