Allopurinol

CAS Number: 315-30-0

Molecular Formula: C5H4N4O

Purity: Allopurinol 98% purity

About Allopurinol

Allopurinol (CAS 315-30-0) remains a cornerstone in the API intermediates market, primarily utilized for the synthesis of xanthine oxidase inhibitors to treat hyperuricemia and chronic gout, where high purity fine chemicals (Pharma/API purity 99% | General Industry purity 98%) are critical for therapeutic efficacy. 1H-...

Allopurinol Specifications

CAS Number

315-30-0

Molecular Formula

C5H4N4O

Molecular Weight

136.111

IUPAC Name

6-methyl-2-(4-methylphenyl)sulfonyl-3,7a-dihydro-1H-pyrano[3,4-c]pyrrole / 1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

Canonical SMILES

C1=NNC2=C1C(=O)NC=N2

InChI Key

RXSUDKHDERGNSY-UHFFFAOYSA-N

InChI

1S/C15H17NO3S/c1-11-3-5-15(6-4-11)20(17,18)16-8-13-7-12(2)19-10-14(13)9-16/h3-7,10,13H,8-9H2,1-2H3

EINECS Number

206-254-8

MDL Number

MFCD00005705

UNSPSC Code

41116107

HSN No

30049099

CAS Number

315-30-0

Molecular Formula

C5H4N4O

Molecular Weight

136.111

IUPAC Name

6-methyl-2-(4-methylphenyl)sulfonyl-3,7a-dihydro-1H-pyrano[3,4-c]pyrrole / 1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

Canonical SMILES

C1=NNC2=C1C(=O)NC=N2

InChI Key

RXSUDKHDERGNSY-UHFFFAOYSA-N

InChI

1S/C15H17NO3S/c1-11-3-5-15(6-4-11)20(17,18)16-8-13-7-12(2)19-10-14(13)9-16/h3-7,10,13H,8-9H2,1-2H3

EINECS Number

206-254-8

MDL Number

MFCD00005705

UNSPSC Code

41116107

HSN No

30049099

Molecular Weight

136.111

PSA

74.430

LogP

-0.35380

Physical State

White to Off-White Solid

Density

1.89g/cm3

Boiling Point

290.8ºC at 760 mmHg

Melting Point

350ºC

Flash Point

129.7ºC

Refractive Index

1.816

Water Solubility

0.35 g/L (25 ºC)

Purity

Allopurinol 98% purity

Risk Statements Code

R25;R36/37/38;R43

Safety Statements Code

S24;S26;S36/37/39;S45

Xanthine Oxidase Inhibitor

A potent medication used to reduce the production of uric acid in the body, primarily indicated for the chronic management of gout, the prevention of tumor lysis syndrome during chemotherapy, and the treatment of recurrent calcium oxalate or uric acid kidney stones

Pharmaceutical Active Ingredient

A purine analogue that undergoes hepatic metabolism to its active metabolite, oxypurinol, both of which competitively inhibit the enzyme xanthine oxidase to lower serum and urinary urate concentrations

Antigout Agent

A standard-of-care therapeutic utilized to prevent gouty arthritis and the formation of tophi by maintaining serum uric acid levels below saturation points

Research Tool

A biochemical reagent used in scientific studies to investigate purine catabolism, reactive oxygen species generation, and the role of adenosine signaling in nociceptive pathways.