Amtolmetin Guacil
Basic information
- CAS
87344-05-6- Standard SMILES
COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C(=O)c2ccc(C)cc2)n1C- InChIKey
CWJNMKKMGIAGDK-UHFFFAOYSA-N- Molecular formula
- C24H24N2O5
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.16852187
Overview
Amtolmetin guacil is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- Amtolmetin Guacil
- IUPAC
- (2-methoxyphenyl) 2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetate
- English name
- Amtolmetin guacil
- Molecular formula
- C24H24N2O5
- Molecular weight
- 420.46
Names & synonyms
Amtolmetin guacil87344-06-7amtolmetin guacylArtromedAmtolmetine guacilAmtolmetina guaciloST-679FinridAmtolmetinum guacilumDTXSID50236291323A00CRO9RefChem:112362
Show more names
med15EufansAmtolmetinAMTOLMETIO GUACILAMtolMethin GuacilAmtolmetin guacil, 10 mM in DMSO2-methoxyphenyl1-methyl-5-p-methylbenzoylpyrrole-2-acetoamidoacetate
DTXCID501587822-Methoxyphenyl 2-(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetamido)acetateST 679Amtolmetin guacil [INN]104076-16-6(2-methoxyphenyl) 2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetateMFCD00866153Amtolmetin guacil (INN)
Database identifiers
- CAS
87344-05-6、87344-06-7- PubChem CID
- 65655
- DTXSID
DTXSID50236291- ChEMBL
CHEMBL1766570- ChEBI
CHEBI:135678- UNII
- 323A00CRO9
- EC Number
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- Melting point
- 117 · 117-120°
- Boiling point
- 663.3 · 663.3±55.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.9 · 13.90±0.46(Predicted)
- color
- Pale Brown to Light Brown
- CAS DataBase Reference
- 87344 · 87344-06-7(CAS DataBase Reference)
- FDA UNII
- 323 A00CRO9 · 323A00CRO9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Toxicity
- 50 in · LD50 in male mice, rats (mg/kg): 1370, 1100 i.p.; >1500, 1450 orally (Baglioni)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P301+P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- Toxicity
- LD50 in male mice, rats (mg/kg): 1370, 1100 i.p.; >1500, 1450 orally (Baglioni)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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.
Applications
DescriptionAmtolmetin guacil is an orally active non-steroidal antiinflammatory drug (NSAID) introduced for the treatment of osteoarthritis, rheumatoid arthritis and post-operative pain. Amtolmetin guacil is reported to elicit a more rapid and improved analgesic action than other agents such as paracetamol. In models of adjuvant arthritis and rheumatic diseases, amtolmetin guacil is more efficacious than existing drugs such as naproxen, indomethacin and piroxicam. As a non-acidic prodrug of tolmetin, it has similar in vivo activity to the parent but with minor ulcerogenic action, lower acute toxicity, and excellent biological and gastric tolerability.
UsesAnalgesic; anti-inflammatory used in the treatment of rheumatoid arthritis,
Additional notes
DefinitionChEBI: Amtolmetin guacil is a N-acyl-amino acid.
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