Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, calcium salt (2:1)

CAS Registry Number®

51996-59-9
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CAS Name

Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, calcium salt (2:1)

Molecular Formula

C13H17N3O4S.1/2Ca

Cite this Page

Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, calcium salt (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=51996-59-9 (retrieved 2024-03-29) (CAS RN: 51996-59-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H17N3O4S.Ca/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);

InChIKey

InChIKey=VKBCFEXGVHROLS-UHFFFAOYSA-N

SMILES

O=C1N(N(C)C(C)=C1N(CS(=O)(=O)O)C)C2=CC=CC=C2.[Ca]

Canonical SMILES

[Ca].O=C1C(=C(N(N1C=2C=CC=CC2)C)C)N(C)CS(=O)(=O)O

Other Names for this Substance

  • Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, calcium salt (2:1)
  • Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, calcium salt

Deleted or Replaced CAS Registry Numbers

71888-69-2

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