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C8960

Caffeine

BioXtra

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.31
PubChem Substance ID:
24893117
EC Number:
200-362-1
Beilstein/REAXYS Number:
17705
MDL number:
MFCD00005758
eCl@ss:
34050301
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product line

BioXtra

Quality Level

200

form

powder

impurities

≤0.0005% Phosphorus (P), ≤0.1% Insoluble matter

ign. residue

≤0.1%

mp

234-236.5 °C (lit.)

solubility

chloroform: 0.5 M, clear, colorless

anion traces

chloride (Cl-): ≤0.05%, sulfate (SO42-): ≤0.05%

cation traces

Al: ≤0.0005%, Ca: ≤0.001%, Cu: ≤0.0005%, Fe: ≤0.0005%, K: ≤0.005%, Mg: ≤0.001%, NH4+: ≤0.05%, Na: ≤0.005%, Pb: ≤0.001%, Zn: ≤0.0005%

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)

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000473247
0000473247
0000502908
0000502908
0000468243

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CONSORT extension for reporting N-of-1 trials (CENT) 2015: Explanation and elaboration.
Larissa Shamseer et al.
BMJ (Clinical research ed.), 350, h1793-h1793 (2015-05-16)
Nicolas Bousette et al.
Journal of cellular physiology, 229(3), 374-383 (2013-09-17)
Calnexin (CNX) is an endoplasmic reticulum (ER) quality control chaperone that has been implicated in ER stress. ER stress is a prominent pathological feature of various pathologic conditions, including cardiovascular diseases. However, the role of CNX and ER stress has
Jonathan M Hodgson et al.
The American journal of clinical nutrition, 97(5), 943-950 (2013-04-05)
Measures of blood pressure variation have been associated with cardiovascular disease and related outcomes. The regular consumption of black tea can lower blood pressure, but its effects on blood pressure variation have yet to be investigated. We aimed to assess
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