Tolmetin sodium , Cyclooxygenase inhibitor, CAS No.35711-34-3, Cyclooxygenase inhibitor

CAS: 35711-34-3 Cat. No.: T671157 Fórmula: C15H14NNaO3 Peso molecular: 279.27 Número CE: 252-687-3 PubChem CID: 23665411
Disponível para encomenda
Synonyms
TOLMETIN SODIUM | AKOS015901707 | 1H-PYRROLE-2-ACETIC ACID, 1-METHYL-5-(4-METHYLBENZOYL)-, SODIUM SALT (1:1) | Tolmetin sodium salt | SCHEMBL1477674 | Tolmetin (Sodium) | C02328 | sodium (1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetate | 1H-Pyrrole-2-
Storage
Room temperature
Size
Alemanha (EU)
USA*
Price
Qty
1mg
T671157-1mg
Sob encomenda · 8–12 semanas
867,65€
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
TOLMETIN SODIUM | AKOS015901707 | 1H-PYRROLE-2-ACETIC ACID, 1-METHYL-5-(4-METHYLBENZOYL)-, SODIUM SALT (1:1) | Tolmetin sodium salt | SCHEMBL1477674 | Tolmetin (Sodium) | C02328 | sodium (1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetate | 1H-Pyrrole-2-
Condições de armazenamento de armazenamento
Room temperature
Tipo de ação
INHIBITOR
Mecanismo de ação
Cyclooxygenase inhibitor
Nomes e identificadores
Sorrisos canónicosCC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].[Na+]
IUPAC Namesodium;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate
InChIKeyQGUALMNFRILWRA-UHFFFAOYSA-M
INCHI1S/C15H15NO3.Na/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;/h3-8H,9H2,1-2H3,(H,17,18);/q;+1/p-1
SMILES isoméricas CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].[Na+]
PubChem CID 23665411
Peso molecular 279.27

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAryl-phenylketones
Alternative Parents Benzoyl derivatives  Toluenes  N-methylpyrroles  Heteroaromatic compounds  Carboxylic acid salts  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic sodium salts  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aryl-phenylketone - Benzoyl - Toluene - Monocyclic benzene moiety - N-methylpyrrole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic sodium salt - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors organic sodium salt
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular279.270 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass279.087 Da
Monoisotopic Mass279.087 Da
Topological Polar Surface Area62.100 Ų
Heavy Atom Count20
Formal Charge0
Complexity353.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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