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CAFFEINE-D9 (1,3,7-TRIMETHYL-D9) is a bitter, white crystalline xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. It is found in varying quantities in the seeds, leaves, and fruit of some plants, where it serves as a natural pesticide that paralyzes and kills certain insects feeding on the plants.

72238-85-8

72238-85-8 Suppliers

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72238-85-8 Usage

Uses

Used in Pharmaceutical Industry:
CAFFEINE-D9 (1,3,7-TRIMETHYL-D9) is used as a central nervous system stimulant for temporarily warding off drowsiness and restoring alertness in humans.
Used in Cardiac and Respiratory Applications:
CAFFEINE-D9 (1,3,7-TRIMETHYL-D9) is used as a cardiac and respiratory stimulant, helping to improve heart and lung function.
Used in Diuretic Applications:
CAFFEINE-D9 (1,3,7-TRIMETHYL-D9) is used as a diuretic, promoting the production and excretion of urine to help remove excess water and salts from the body.
Used in Pesticide Applications:
CAFFEINE-D9 (1,3,7-TRIMETHYL-D9) is used as a natural pesticide in plants, where it paralyzes and kills certain insects feeding on the plants.
Note: CAFFEINE-D9 (1,3,7-TRIMETHYL-D9) is toxic at sufficiently high doses and should be used with caution.

Check Digit Verification of cas no

The CAS Registry Mumber 72238-85-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,2,3 and 8 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 72238-85:
(7*7)+(6*2)+(5*2)+(4*3)+(3*8)+(2*8)+(1*5)=128
128 % 10 = 8
So 72238-85-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1D3,2D3,3D3

72238-85-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3,7-tris(trideuteriomethyl)purine-2,6-dione

1.2 Other means of identification

Product number -
Other names Guaranine-d9

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:72238-85-8 SDS

72238-85-8Downstream Products

72238-85-8Relevant academic research and scientific papers

Collision-induced dissociation studies of caffeine in positive electrospray ionisation mass spectrometry using six deuterated isotopomers and one N1-ethylated homologue

Bier, Dirk,Hartmann, Rudolf,Holschbach, Marcus

, p. 885 - 895 (2013)

Rationale: In order to deepen the understanding of electrospray ionisation collision-induced dissociation (ESI-CID) fragmentation reactions of xanthine derivatives for the identification of metabolites using low-resolution liquid chromatography/mass spectrometry (LC/MS) analysis, basic experiments using caffeine (1,3,7-trimethylxanthine) as model compound have been performed. Methods: Six deuterium isotopomers and one N1-ethylated homologue of caffeine have been synthesized and their ESI fragmentation spectra have been obtained by using LC/MS in combination with either standard or perdeuterated eluent mixtures. RESULTS One result of these studies is the finding that the positive charges of the ESI-CID caffeine fragments are caused by the addition of protons. Furthermore, the performed experiments allow the determination of all molecular formulae of each ESI-CID caffeine fragment. Conclusions: As basic CID reactions of caffeine have been elucidated in this work, the developed fragmentation scheme may serve as a valuable tool for the interpretation of ESI-CID fragmentation spectra of more complex xanthine derivatives and their respective metabolites. Copyright