C7731

Koffein

meets USP testing specifications, anhydrous

• Synonym(e): 1,3,7-Trimethylxanthin
• Empirische Formel (Hill-System): C₈H₁₀N₄O₂
• CAS-Nummer: 58-08-2
• Molekulargewicht: 194.19
• UNSPSC Code: 12352210
• NACRES: NA.21
• PubChem Substance ID: 24892984
• EC Number: 200-362-1
• Beilstein/REAXYS Number: 17705
• MDL number: MFCD00005758
• Grade: anhydrous
• Agency: USP/NF; meets USP testing specifications

Eigenschaften

• Produktname: Koffein, meets USP testing specifications, anhydrous
• InChI key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
• InChI: 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
• SMILES string: CN1C(=O)N(C)c2ncn(C)c2C1=O
• grade: anhydrous
• agency: USP/NF; meets USP testing specifications
• form: crystalline; powder
• mp: 234-236.5 °C (lit.)
• solubility: H₂O: soluble 18.7 g/L at 16 °C
• Quality Level: 200
• Gene Information: human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE4B(5142) ; mouse ... Adora2b(11541) ; rat ... Adora1(29290), Adora2a(25369)

Beschreibung

Application

Caffeine has been used:

• to functionally disable Ca²⁺ removal via sarco/endoplasmic reticulum Ca²⁺ ATPase (SERCA)[1]
• to determine its effects in overcoming excitation-contraction-coupling failure[2]
• to compare its role as a stimulant with guarana[3]

General description

Caffeine is a commonly consumed pharmacologically active substance. It is a member of the class of methylxanthines.[4] It is a natural alkaloid found in coffee, cocoa and other plants. Caffeine might be linked to osteoporosis, cardiovascular risk, arrhythmia and gastrointestinal disturbances.[5] Caffeine is used to treat orthostatic hypotension,[6] bronchopulmonary dysplasia and apnea of prematurity (AOP).[7]

Sicherheitshinweise

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral
• Lagerklasse: 13 - Non Combustible Solids
• wgk: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves