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Merck

C7731

Caffeine

meets USP testing specifications, anhydrous

Synonym(s):

1,3,7-Trimethylxanthine

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About This Item

Empirical Formula (Hill Notation):
C8H10N4O2
CAS Number:
58-08-2
Molecular Weight:
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

Key Documents

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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

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)

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Application

Caffeine has been used:
  • to functionally disable Ca2+ removal via sarco/endoplasmic reticulum Ca2+ ATPase (SERCA)
  • to determine its effects in overcoming excitation-contraction-coupling failure
  • to compare its role as a stimulant with guarana

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).

pictograms

Exclamation mark
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

Storage Class

11 - Combustible Solids

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

C7731-1KG: + C7731-250G: + C7731-VAR: + C7731-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
SLCM0709
SLCM0701
SLCD5455
SLCC8122
SLCB7656

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Caffeine?s beneficial effect on maximal voluntary strength and activation in uninjured but not injured muscle
Park ND, et al.
International Journal of Sport Nutrition and Exercise Metabolism, 18(6), 639-652 (2008)
There and back again: Iterating between population-based modeling and experiments reveals surprising regulation of calcium transients in rat cardiac myocytes
Devenyi RA and Sobie EA
Journal of Molecular and Cellular Cardiology, 96, 38-48 (2016)
Effects of caffeine on human health
Nawrot P, et al.
Food Additives and Contaminants, 20(1), 1-30 (2003)
Apnea of prematurity: from cause to treatment
Zhao J, et al.
European Journal of Pediatrics, 170(9), 1097-1105 (2011)
Metabolic effects of spices, teas, and caffeine
Westerterp-Plantenga M, et al.
Physiology & Behavior, 89(1), 85-91 (2006)
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