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· · COA & SDS available for every product · Same-day shipping on in-stock items Oxtriphylline - ≥98% , Adenosine receptor antagonist, CAS No.4499-40-5, Adenosine receptor antagonist
Synonyms
(2-Hydroxyethyl)trimethylammonium compound with theophylline | Choline thieophyllinate | OXTRIPHYLLINE [VANDF] | Sabidal | ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH 3,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (1:1) | CHOLINE THEOPHYLLINATE [MAR
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Product Application:
Choline theophyllinate (Oxtriphylline) is a choline salt of theophylline, which has anti-asthmatic effects.
Specifications Synonyms
(2-Hydroxyethyl)trimethylammonium compound with theophylline | Choline thieophyllinate | OXTRIPHYLLINE [VANDF] | Sabidal | ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH 3,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (1:1) | CHOLINE THEOPHYLLINATE [MAR
Specifications & Purity
≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Adenosine receptor antagonist
Names and Identifiers Canonical Smiles
CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO
IUPAC Name
1,3-dimethyl-2-oxopurin-6-olate;2-hydroxyethyl(trimethyl)azanium
InChIKey
SOELXOBIIIBLRJ-UHFFFAOYSA-M
INCHI
1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1
Isomeric SMILES
CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4928440&ln=
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Imidazopyrimidines Subclass Purines and purine derivatives Intermediate Tree Nodes Not available Direct Parent Xanthines Alternative Parents Purinones Alkaloids and derivatives Cholines Pyrimidones Tetraalkylammonium salts Heteroaromatic compounds Imidazoles Ureas 1,2-aminoalcohols Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Primary alcohols Molecular Framework Not available Substituents Xanthine - Purinone - Alkaloid or derivatives - Choline - Pyrimidone - Pyrimidine - Azole - Imidazole - Quaternary ammonium salt - Tetraalkylammonium salt - Heteroaromatic compound - Urea - 1,2-aminoalcohol - Azacycle - Alkanolamine - Amine - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture sensitive Molecular Weight 283.330 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 283.164 Da Monoisotopic Mass 283.164 Da Topological Polar Surface Area 91.600 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 415.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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