Oxyphenbutazone monohydrate

CAS Registry Number®

7081-38-1

CAS Name

Oxyphenbutazone monohydrate

Molecular Formula

C19H20N2O3.H2O

Cite this Page

Oxyphenbutazone monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7081-38-1 (retrieved 2024-11-22) (CAS RN: 7081-38-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    96 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H20N2O3.H2O/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;/h4-8,10-13,17,22H,2-3,9H2,1H3;1H2

InChIKey

InChIKey=CNDQSXOVEQXJOE-UHFFFAOYSA-N

SMILES

O=C1N(N(C(=O)C1CCCC)C2=CC=CC=C2)C3=CC=C(O)C=C3.O

Canonical SMILES

O=C1N(C=2C=CC=CC2)N(C3=CC=C(O)C=C3)C(=O)C1CCCC.O

Other Names for this Substance

  • 3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, hydrate (1:1)
  • 3,5-Pyrazolidinedione, 4-butyl-1-(p-hydroxyphenyl)-2-phenyl-, monohydrate
  • 3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrate
  • 1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione monohydrate
  • Oxyphenbutazone monohydrate

Deleted or Replaced CAS Registry Numbers

76576-51-7

CAS INSIGHTSTM
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