Allopurinol

CAS Registry Number®

315-30-0

CAS Name

Allopurinol

Molecular Formula

C5H4N4O

Molecular Mass

136.11

Cite this Page

Allopurinol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22767-92-6 (retrieved 2024-11-27) (CAS RN: 315-30-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >350 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)

InChIKey

InChIKey=OFCNXPDARWKPPY-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC=N1)NN=C2

Canonical SMILES

O=C1N=CNC=2NN=CC12

Other Names for this Substance

  • 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-
  • 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  • BW 56-158
  • Allopurinol
  • HPP

View All

Deleted or Replaced CAS Registry Numbers

22767-92-6, 39464-14-7, 184856-42-6

CAS INSIGHTSTM
Hourglass and a clock