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Technical details about Roxatidine, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 78273-80-0, Desacetyl-tzu-0460, 2-hydroxy-n-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide, Iv9vht3yum, Roxatidine (inn), Roxatidine [inn]
Molecular Formula
C17H26N2O3
Molecular Weight
306.4  g/mol
InChI Key
BCCREUFCSIMJFS-UHFFFAOYSA-N
FDA UNII
IV9VHT3YUM

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
2.1.2 InChI
InChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21)
2.1.3 InChI Key
BCCREUFCSIMJFS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CO
2.2 Other Identifiers
2.2.1 UNII
IV9VHT3YUM
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Roxatidine Acetate

2. Roxatidine Acetate Hydrochloride

3. Roxiwas

4. Zarocs

2.3.2 Depositor-Supplied Synonyms

1. 78273-80-0

2. Desacetyl-tzu-0460

3. 2-hydroxy-n-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide

4. Iv9vht3yum

5. Roxatidine (inn)

6. Roxatidine [inn]

7. Roxatidine [inn:ban]

8. Unii-iv9vht3yum

9. 2-hydroxy-n-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)acetamide

10. 2-hydroxy-n-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}acetamide

11. 2-hydroxy-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)acetamide

12. Roxit (tn)

13. 2-hydroxy-n-[3-[3-(1-piperidylmethyl)phenoxy]propyl]acetamide

14. Roxatidine [vandf]

15. Schembl1394

16. Roxatidine [who-dd]

17. Chembl4802233

18. Dtxsid30228937

19. Bcp13552

20. Zinc1541892

21. Acetamide, 2-hydroxy-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-

22. Mfcd00871807

23. Akos015896584

24. Sy293181

25. Hy-137941

26. Cs-0143056

27. Ft-0756141

28. D08494

29. 273r800

30. L012909

31. Q415039

32. Sr-01000944538

33. Sr-01000944538-1

34. N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]hydroxyacetamide

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 306.4 g/mol
Molecular Formula C17H26N2O3
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass306.19434270 g/mol
Monoisotopic Mass306.19434270 g/mol
Topological Polar Surface Area61.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Histamine H2 Antagonists

Drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of histamine. Their clinically most important action is the inhibition of acid secretion in the treatment of gastrointestinal ulcers. Smooth muscle may also be affected. Some drugs in this class have strong effects in the central nervous system, but these actions are not well understood. (See all compounds classified as Histamine H2 Antagonists.)


Anti-Ulcer Agents

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)


4.2 ATC Code

A - Alimentary tract and metabolism

A02 - Drugs for acid related disorders

A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord)

A02BA - H2-receptor antagonists

A02BA06 - Roxatidine


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