1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, hydrate (1:1:2)
CAS Registry Number®
64490-92-2
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CAS Name
1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, hydrate (1:1:2)Molecular Formula
C15H15NO3.2H2O.NaCite 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/ChemicalDetail.aspx?ref=64490-92-2 (retrieved ) (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
