acemetacin

Description

acemetacin · CAS 53164-05-9 · C21H18ClNO6. UNII 5V141XK28X. Boiling Point: 637ºC; Melting Point: 151.5ºC; LogP: 4.49.

Identification

CAS Registry Number	53164-05-9
PubChem CID	1981
Molecular formula	C21H18ClNO6
IUPAC name	2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid
UNII (FDA)	5V141XK28X

Computed Descriptors

Molecular Weight	415.8
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	415.0822650
Monoisotopic Mass	415.0822650
Topological Polar Surface Area	94.8
Heavy Atom Count	29
Formal Charge	0

Physical & Chemical Properties

Boiling Point	637ºC
Melting Point	151.5ºC
LogP	4.49
Dissociation Constants	2.6

Physical description & handling notes

• Slightly soluble
• >62.4 [ug/mL] (The mean of the results at pH 7.4)
• 197.64 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 190.58 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 200.27 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 191 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H300 (100%), H310 (60%), H330 (60%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >1000
• Consumption (g per capita; approx.) in Germany (2009): 0.0122
• Breast Feeding; Lactation; Milk, Human; Analgesic Agents; Anti-inflammatory Agents, Nonsteroidal
• Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
• M01 - Antiinflammatory and antirheumatic products
• M01A - Antiinflammatory and antirheumatic products, non-steroids

Synonyms

acemetacin; 53164-05-9; Rantudil; Acemix; Emflex; Acemetacina; Acemetacine; Acemetacinum; TVX 3322; K 708; K-708; indomethacin carboxymethyl ester; DTXSID7022540; indometacin glycolic ester; indomethacin glycolic ester; 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, carboxymethyl ester

Frequently Asked Questions

What are the CAS number and molecular formula of acemetacin?

CAS 53164-05-9; molecular formula C21H18ClNO6; molecular weight — g/mol.

What other names is acemetacin known by?

acemetacin, 53164-05-9, Rantudil, Acemix, Emflex, Acemetacina.

Is acemetacin classified as hazardous?

Hazard statements reported: H300, H310, H330.

What are the key physical properties of acemetacin?

Boiling Point: 637ºC; Melting Point: 151.5ºC; LogP: 4.49; Dissociation Constants: 2.6.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.