6-Methoxy-2-naphthylacetic acid
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6-Methoxy-2-naphthylacetic acid
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CAS No:
23981-47-7
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Formula:
C13H12O3
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Chemical Name:
6-Methoxy-2-naphthylacetic acid
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Synonyms:
2-Naphthaleneacetic acid,6-methoxy-;6-Methoxy-2-naphthaleneacetic acid;6-Methoxy-2-naphthylacetic acid;2-(6-Methoxy-2-naphthyl)acetic acid;BRL 10720;2-(2-Methoxynaphthalen-6-yl)acetic acid;2-(6-Methoxynaphthalen-2-yl)acetic acid;2-(6-Methoxynaphthalen-2-yl)aceticacid
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CAS No:
Description
(6-methoxy-2-naphthyl)acetic acid is a monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a drug metabolite and a xenobiotic metabolite. It is a monocarboxylic acid and a methoxynaphthalene. It derives from a 2-naphthylacetic acid.
6-Methoxy-2-naphthylacetic acid Basic Attributes
216.23300
216.23
245-967-1
9H7K3YOD7Q
DTXSID70178705
2918990090
Characteristics
46.53000
2.47550
Off-white solid
1.235 g/cm3
203-205 °C
408.8ºC at 760 mmHg
160.7ºC
1.625
2.04E-07mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
6-methoxy-2-naphthylacetic acid
Computed Properties
Molecular Weight:216.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:216.078644241
Monoisotopic Mass:216.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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