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

• grade: anhydrous
• Quality Segment: 200
• 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
• SMILES string: CN1C(=O)N(C)c2ncn(C)c2C1=O
• InChI: 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
• InChI key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
• Gene Information: human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE4B(5142) ; mouse ... Adora2b(11541) ; rat ... Adora1(29290), Adora2a(25369)

Beschreibung

General description

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

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
• to compare its role as a stimulant with guarana[2]

Sicherheitshinweise

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• Hazard Classifications: Acute Tox. 4 Oral
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• pcodes: P264 - P270 - P301 + P312 - P501
• Lagerklasse: 11 - Combustible Solids