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Ibufenac

Ibufenac structure

CAS No:
1553-60-2
Formula:
C12H16O2
Chemical Name:
Ibufenac
Synonyms:
Benzeneacetic acid,4-(2-methylpropyl)-;Acetic acid,(p-isobutylphenyl)-;4-(2-Methylpropyl)benzeneacetic acid;Ibufenac;(p-Isobutylphenyl)acetic acid;4-Isobutylphenylacetic acid;Dytransin;Ibunac;Isodilan;Medirex;4-Isobutoxyphenylacetic acid;RD 11654;NSC 99976;4-(2-Methylpropyl)phenylacetic acid;2-(4-Isobutylphenyl)acetic acid;2-[4-(2-Methylpropyl)phenyl]acetic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Crystalline SolidChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatot xic side-effects.

Ibufenac is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a hepatotoxic agent and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It derives from an acetic acid.

Ibufenac Basic Attributes

Molecular Weight：

192.258

Exact Mass：

192.25

EC Number：

216-302-2

UNII：

5V4WIX44VI

NSC Number：

99976

DSSTox ID：

DTXSID0044107

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

3.1

Density：

1.0240 (rough estimate)

Melting Point：

85-87 °C

Boiling Point：

288.25°C (rough estimate)

Flash Point：

209.3±14.4 °C

Refractive Index：

1.5100 (estimate)

Toxicity：

LD50 orally in mice: 1.8 g/kg (Adams)

Safety Information

Transport codes：

NONH for all modes of transport

RTECS Number：

AI4200000

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

(p-isobutylphenyl)acetic acid

Ibufenac Use and Manufacturing

Used as an analgesic, anti-inflammatory

Computed Properties

Molecular Weight:192.25
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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IBUFENAC

CAS No.: 1553-60-2

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Compound Net Biotechnology Inc. Contact Supplier

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

1553-60-2 2-[4-(2-methylpropyl)phenyl]acetic acid

CAS No.: 1553-60-2

Grade: Industrial Grade

Content: 95%

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