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

CAS Registry Number®

64092-49-5
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CAS Name

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

Molecular Formula

C15H14ClNO3.2H2O.Na

Cite this Page

1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, 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=64092-49-5 (retrieved 2024-08-28) (CAS RN: 64092-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    295-296 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C15H14ClNO3.Na.2H2O/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;;;/h3-7H,8H2,1-2H3,(H,18,19);;2*1H2

InChIKey

InChIKey=ZWELAKHLKSKTCZ-UHFFFAOYSA-N

SMILES

C(=O)(C=1N(C)C(CC(O)=O)=CC1C)C2=CC=C(Cl)C=C2.[Na].O

Canonical SMILES

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

Other Names for this Substance

  • 1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, sodium salt, hydrate (1:1:2)
  • 1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, sodium salt, dihydrate