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Substance Name: Tolmetin glucuronide
RN: 71595-19-2
InChIKey: MEFIGCPEYJZFFC-ZFORQUDYSA-N

Note

  • Metabolite of tolmetin; has been correlated with irreversible binding of the drug to blood proteins.

Molecular Formula

  • C21-H23-N-O9

Molecular Weight

  • 433.411
 
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Names and Synonyms

Name of Substance

  • Tolmetin glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate)

Registry Numbers

CAS Registry Number

  • 71595-19-2

System Generated Number

  • 0071595192

Structure Descriptors

InChI

1S/C21H23NO9/c1-10-3-5-11(6-4-10)15(24)13-8-7-12(22(13)2)9-14(23)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h3-8,16-19,21,25-27H,9H2,1-2H3,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

MEFIGCPEYJZFFC-ZFORQUDYSA-N

Smiles

O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C(=O)O)OC(Cc1n(c(cc1)C(c1ccc(cc1)C)=O)C)=O