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Caffeine

Name: Caffeine
Brand: SIAL

meets USP testing specifications, anhydrous

Synonym(s):

1,3,7-Trimethylxanthine

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About This Item

Linear Formula:

CH₃(CH₃)C₆H₄N₄O₂

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

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Properties

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)

Description

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]

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1 of 1

This Item	56396	1.02584	C1778
Sigma-Aldrich C7731 Caffeine	Supelco 56396 Caffeine	SAFC 1.02584 Caffeine	Sigma-Aldrich C1778 Caffeine
grade anhydrous	grade certified reference material, TraceCERT^®	grade -	grade -
agency USP/NF, meets USP testing specifications	agency -	agency BP, Ph. Eur., USP	agency -
mp 234-236.5 °C (lit.)	mp 234-236.5 °C (lit.)	mp 235-239 °C	mp 234-236.5 °C (lit.)
Gene Information human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE4B(5142) mouse ... Adora2b(11541) rat ... Adora1(29290), Adora2a(25369)	Gene Information human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)	Gene Information -	Gene Information human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE4B(5142) mouse ... Adora2b(11541) rat ... Adora1(29290), Adora2a(25369)
form crystalline, powder	form -	form crystalline powder	form crystalline, powder
Quality Level 200	Quality Level 300	Quality Level 500	Quality Level 200

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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

Storage Class

11 - Combustible Solids

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