1,7-Dimethylxanthine-[D6] (paraxanthine)

Product Name: 1,7-Dimethylxanthine-[D6] (paraxanthine)
CAS No.: 117490-41-2
Chemical Name: 1,7-Dimethylxanthine-[D6] (paraxanthine)
Synonyms: Paraxanthine-d6;1,7-Dimethylxanthine-(dimethyl-d?);D6-1,7-Dimethylxanthine(Paraxanthine);2H6]-1,7-Dimethylxanthine(Paraxanthine);1,7-Dimethylxanthine-(dimethyl-d6) ;1,7-Dimethylxanthine-[D6] (paraxanthine);1,7-bis(trideuteriomethyl)-3H-purine-2,6-dione;1,7-Dimethylxanthine (Paraxathine, Dimethyl-d6);1,7-Dimethylxanthine-(dimethyl-d₆);Tributyl Phosphate Impurity 1(Tributyl Phosphate EP Impurity A)
CBNumber: CB72739226
Molecular Formula: C7H8N4O2
Formula Weight: 180.17
MOL File: 117490-41-2.mol

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1,7-Dimethylxanthine-[D6] (paraxanthine) Property

Melting point:: 294-296°C
storage temp.: -20°C
solubility: DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7.2): 1 mg/ml
form: A crystalline solid
color: White to off-white
InChI: 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i1D3,2D3
InChIKey: QUNWUDVFRNGTCO-WFGJKAKNSA-N
SMILES: [2H]C([2H])([2H])N1C(=O)Nc2ncn(c2C1=O)C([2H])([2H])[2H]

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Safety

Hazard Codes: Xn
Risk Statements: 22
WGK Germany: 3
Storage Class: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P330Rinse mouth.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 705373
Product name: 1,7-Dimethylxanthine-(dimethyl-d6)
Purity: ≥98 atom % D, ≥97% (CP)
Packaging: 2mg
Price: $362.6
Updated: 2026/04/30

Sigma-Aldrich

Product number: 705373
Product name: 1,7-Dimethylxanthine-(dimethyl-d6)
Purity: ≥98 atom % D, ≥97% (CP)
Packaging: 5mg
Price: $1210
Updated: 2026/04/30

Cayman Chemical

Product number: 9003564
Product name: Paraxanthine-d6
Purity: ≥99%deuteratedforms(d1-d6);≤1%d0
Packaging: 500μg
Price: $134
Updated: 2026/04/30

Cayman Chemical

Product number: 9003564
Product name: Paraxanthine-d6
Purity: ≥99%deuteratedforms(d1-d6);≤1%d0
Packaging: 1mg
Price: $253
Updated: 2026/04/30

Cayman Chemical

Product number: 9003564
Product name: Paraxanthine-d6
Purity: ≥99%deuteratedforms(d1-d6);≤1%d0
Packaging: 5mg
Price: $795
Updated: 2026/04/30

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1,7-Dimethylxanthine-[D6] (paraxanthine) Chemical Properties,Usage,Production

Uses

1,7-Dimethylxanthine (Paraxathine) (Dimethyl-D6, 98%) is an isotopic labeled compound of Paraxanthine (P192500). Paraxanthine is an adenosine receptor ligand and a major metabolite of caffeine.

1,7-Dimethylxanthine-[D6] (paraxanthine) Preparation Products And Raw materials

Raw materials

Preparation Products

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1,7-Dimethylxanthine-[D6] (paraxanthine) Suppliers

China 24 India 1 United States 4 Global 29

Sigma-Aldrich

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