Acetoxolone

Acetoxolone
Names
Preferred IUPAC name
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(Acetyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other names
Acetylglycyrrhetinic acid
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.025.887
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PubChem CID
UNII
InChI
  • InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1 checkY
    Key: FTQDJVZNPJRVPG-XWEVEMRCSA-N checkY
  • InChI=1/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
    Key: FTQDJVZNPJRVPG-XWEVEMRCBD
SMILES
  • CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C
Properties
Chemical formula
 C32H48O5
Molar mass 512.72 g/mol
Pharmacology
A02BX09 (WHO)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Acetoxolone is a drug used for peptic ulcer and gastroesophageal reflux disease. It is an acetyl derivative of glycyrrhetinic acid.

See also

References



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