1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, hydrate (1:1:2)

CAS Registry Number®

64490-92-2

CAS Name

1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, hydrate (1:1:2)

Molecular Formula

C15H15NO3.2H2O.Na

Cite this Page

1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, hydrate (1:1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64490-92-2 (retrieved 2024-12-21) (CAS RN: 64490-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2

InChIKey

InChIKey=AMCYRKBALHFTGR-UHFFFAOYSA-N

SMILES

C(=O)(C=1N(C)C(CC(O)=O)=CC1)C2=CC=C(C)C=C2.[Na].O

Canonical SMILES

[Na].O=C(O)CC1=CC=C(C(=O)C2=CC=C(C=C2)C)N1C.O

Other Names for this Substance

  • 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, hydrate (1:1:2)
  • 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, dihydrate
  • Tolmetin sodium dihydrate

CAS INSIGHTSTM
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