Ibuprofen sodium dihydrate

CAS Registry Number®

527688-20-6

CAS Name

Ibuprofen sodium dihydrate

Molecular Formula

C13H18O2.2H2O.Na

Cite this Page

Ibuprofen sodium dihydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=527688-20-6 (retrieved 2024-11-21) (CAS RN: 527688-20-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    199.6 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2.Na.2H2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;;/h4-7,9-10H,8H2,1-3H3,(H,14,15);;2*1H2

InChIKey

InChIKey=ZHPKLDOUTPBCQJ-UHFFFAOYSA-N

SMILES

C(C(O)=O)(C)C1=CC=C(CC(C)C)C=C1.[Na].O

Canonical SMILES

[Na].O=C(O)C(C1=CC=C(C=C1)CC(C)C)C.O

Other Names for this Substance

  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, sodium salt, hydrate (1:1:2)
  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, sodium salt, dihydrate
  • Ibuprofen sodium dihydrate
  • Sodium ibuprofen dihydrate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration