Ibuprofen sodium dihydrate
CAS Registry Number®
527688-20-6
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CAS Name
Ibuprofen sodium dihydrateMolecular Formula
C13H18O2.2H2O.NaCite 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 ) (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
