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1,1'-Methylene Bis[TheobroMine], also known as Pentoxifylline EP Impurity E, is a chemical compound that is an impurity found in Pentoxifylline, a medication used for various purposes. It is characterized by its chemical structure, which consists of two theobromine molecules connected by a methylene bridge.

77196-87-3

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77196-87-3 Usage

Uses

Used in Pharmaceutical Industry:
1,1'-Methylene Bis[TheobroMine] is used as an impurity in Pentoxifylline, which is a medication with various applications. The presence of this impurity may affect the quality, safety, and efficacy of the final pharmaceutical product. Therefore, it is important to monitor and control the levels of this impurity during the manufacturing process to ensure the desired therapeutic effects and minimize potential side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 77196-87-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,1,9 and 6 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 77196-87:
(7*7)+(6*7)+(5*1)+(4*9)+(3*6)+(2*8)+(1*7)=173
173 % 10 = 3
So 77196-87-3 is a valid CAS Registry Number.

77196-87-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[(3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-3,7-dimethylpurine-2,6-dione

1.2 Other means of identification

Product number -
Other names -

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:77196-87-3 SDS

77196-87-3Downstream Products

77196-87-3Relevant academic research and scientific papers

Preparation method of pentoxifylline impurity

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Paragraph 0023-0025, (2021/05/01)

The invention discloses a preparation method of a pentoxifylline impurity. The preparation method comprises the following steps: adding theobromine into an organic solvent, stirring, and adding a certain amount of alkali; slowly dropwise adding a halogenating reagent into a reaction system for reaction under a temperature control condition; after the reaction is finished, filtering the reaction liquid, adding alkali liquor into the obtained filtrate to adjust the pH value to 10-11, adding a solvent for extraction, and separating the liquid; and washing, drying, concentrating and purifying the organic phase to obtain a target product. The method is easy to operate and can be used for quickly preparing the high-purity pentoxifylline impurity.

Preparation and NMR study of 7,7'-(α,ω-alkanediyl)bis[theophylline], 1,1'-(α,ω-alkanediyl)bis[theobromine], and 1,1'-(α,ω-alkanediyl)bis[3-methyluracil]

Itahara,Imamura

, p. 203 - 209 (2007/10/02)

The treatment of theophylline, theobromine, and 3-methyluracil with X(CH2)(n)X (X = Br or I, n = 1-12) in N,N-dimethylformamide containing sodium hydride gave the corresponding 7,7'-(α,ω-alkanediyl)bis[theophylline], 1,1'-(α,ω-alkanediyl)bis[theobromine], and 1,1'-(α,ω-alkanediyl)bis[3-methyluracil]. The interaction of the theophylline, theobromine, and 3-methyluracil rings of these compounds was studied based on their 1H NMR spectra, and stacking of the two purine rings of 7,7'-(α,ω-alkanediyl)bis[theophylline] was observed.

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