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Chemistry

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Also known as: 13460-98-5, Noradrenaline theophylline, Rw8pd99t8g, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione, Theodrenaline (inn), 7-(2-(2-(3,4-dihydroxyphenyl)-2-hydroxyethylamino)ethyl)theophylline
Molecular Formula
C17H21N5O5
Molecular Weight
375.4  g/mol
InChI Key
WMCMJIGLYZDKRN-UHFFFAOYSA-N
FDA UNII
RW8PD99T8G

Theodrenaline
Theodrenaline is under investigation in clinical trial NCT01311414 (Effect of Cafedrine/Theodrenaline and Urapidil on Cerebral Oxygenation).
1 2D Structure

Theodrenaline

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
2.1.2 InChI
InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
2.1.3 InChI Key
WMCMJIGLYZDKRN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O
2.2 Other Identifiers
2.2.1 UNII
RW8PD99T8G
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Noradrenaline Theophylline

2. Noradrenaline Theophylline, (r)-isomer

3. Noradrenaline Theophylline, Hydrochloride

4. Noradrenaline Theophylline, Monohydrochloride, (r)-isomer

5. Theodrenaline Hydrochloride

6. Theodrenaline Hydrochloride, (r)-isomer

7. Theodrenaline, (r)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 13460-98-5

2. Noradrenaline Theophylline

3. Rw8pd99t8g

4. 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione

5. Theodrenaline (inn)

6. 7-(2-(2-(3,4-dihydroxyphenyl)-2-hydroxyethylamino)ethyl)theophylline

7. Theodrenaline [inn]

8. Norphedrinoethyltheophylline

9. Theodrenalina [dcit]

10. Teodrenalina

11. Theodrenalina

12. Theodrenalinum

13. Theodrenaline [inn:ban]

14. Teodrenalina [inn-spanish]

15. Theodrenalinum [inn-latin]

16. Unii-rw8pd99t8g

17. Brn 0590101

18. Theodrenalin

19. D 470

20. 7-(2-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)theophylline

21. 5-26-14-00012 (beilstein Handbook Reference)

22. 7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione

23. Schembl150110

24. Theodrenaline [who-dd]

25. Chembl2107608

26. Dtxsid40864406

27. Chebi:135580

28. 7-(2-(2-hydroxy-2-(3,4-dihydroxyphenyl)ethylamino)ethyl)theophylline

29. Hy-u00344

30. Akos015913854

31. Theophylline, 7-(2-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)ethyl)-

32. Cs-7379

33. Db12927

34. D07155

35. Q7782198

36. Theophylline, 7-(2-((beta,3,4-trihydroxyphenethyl)amino)ethyl)-

37. (+/-)-7-(2-(2-(3,4-dihydroxyphenyl)-2-hydroxyethylamino)ethyl)theophylline

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 375.4 g/mol
Molecular Formula C17H21N5O5
XLogP3-0.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass375.15426879 g/mol
Monoisotopic Mass375.15426879 g/mol
Topological Polar Surface Area131 Ų
Heavy Atom Count27
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antihypertensive Agents

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)


4.2 ATC Code

C - Cardiovascular system

C01 - Cardiac therapy

C01C - Cardiac stimulants excl. cardiac glycosides

C01CA - Adrenergic and dopaminergic agents

C01CA23 - Theodrenaline


Market Place

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ABOUT THIS PAGE

Theodrenaline Manufacturers

A Theodrenaline manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Theodrenaline, including repackagers and relabelers. The FDA regulates Theodrenaline manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Theodrenaline API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Theodrenaline manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Theodrenaline Suppliers

A Theodrenaline supplier is an individual or a company that provides Theodrenaline active pharmaceutical ingredient (API) or Theodrenaline finished formulations upon request. The Theodrenaline suppliers may include Theodrenaline API manufacturers, exporters, distributors and traders.

click here to find a list of Theodrenaline suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Theodrenaline GMP

Theodrenaline Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Theodrenaline GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Theodrenaline GMP manufacturer or Theodrenaline GMP API supplier for your needs.

Theodrenaline CoA

A Theodrenaline CoA (Certificate of Analysis) is a formal document that attests to Theodrenaline's compliance with Theodrenaline specifications and serves as a tool for batch-level quality control.

Theodrenaline CoA mostly includes findings from lab analyses of a specific batch. For each Theodrenaline CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Theodrenaline may be tested according to a variety of international standards, such as European Pharmacopoeia (Theodrenaline EP), Theodrenaline JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Theodrenaline USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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