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Chemistry

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Also known as: Alvimopan dihydrate, 170098-38-1, Alvimopan hydrate, Alvimopan (dihydrate), Ly 246736 dihydrate, Alvimopan [usan]
Molecular Formula
C25H36N2O6
Molecular Weight
460.6  g/mol
InChI Key
USPVLEIQIUNQGE-DBFLIVQGSA-N
FDA UNII
677C126AET

170098-38-1
Alvimopan is a synthetic trans-3,4-dimethyl-4-(3-hydroxyphenyl) piperidine with peripherally selective opioid mu receptor antagonist activity. Alvimopan is a selective and competitive antagonist at mu-opioid receptors, found in myenteric and submucosal neurons and the immune cells of the lamina propria in the human gut. Upon administration, this agent binds to mu-opioid receptors in the gut, thereby reversing opioid-related disturbances in gut motility. Alvimopan is approximately three to nine times more potent than naloxone.
1 2D Structure

170098-38-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid;dihydrate
2.1.2 InChI
InChI=1S/C25H32N2O4.2H2O/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19;;/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30);2*1H2/t18-,20-,25+;;/m0../s1
2.1.3 InChI Key
USPVLEIQIUNQGE-DBFLIVQGSA-N
2.1.4 Canonical SMILES
CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O
2.1.5 Isomeric SMILES
C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O
2.2 Other Identifiers
2.2.1 UNII
677C126AET
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Adl 8-2698

2. Adl8-2698

3. Alvimopan

4. Alvimopan Anhydrous

5. Anhydrous Alvimopan

6. Ly 246736

7. Ly-246736

8. Ly246736

9. Trans-3,4-dimethyl-4-(3-hydroxyphenyl) Piperidine

2.3.2 Depositor-Supplied Synonyms

1. Alvimopan Dihydrate

2. 170098-38-1

3. Alvimopan Hydrate

4. Alvimopan (dihydrate)

5. Ly 246736 Dihydrate

6. Alvimopan [usan]

7. Ly-246736 Dihydrate

8. 677c126aet

9. Alvimopan (usan)

10. Adl-8-2698

11. 2-[[(2s)-2-benzyl-3-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperi Dyl]propanoyl]amino]acetic Acid Dihydrate

12. 2-[[(2s)-2-benzyl-3-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic Acid;dihydrate

13. (((2s)-2-(((3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanoyl)amino)acetic Acid Dihydrate

14. 2-[[(2s)-2-benzyl-3-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic Acid,dihydrate

15. Ly246736

16. Ly-246736

17. Entrareg

18. Alvimopan [usan:inn:ban]

19. Unii-677c126aet

20. Alvimopandihydrate

21. 156053-89-3 (anhydrous)

22. Entereg (tn)

23. Alvimopan [hsdb]

24. Alvimopan [vandf]

25. Alvimopan 2-hydrate

26. Schembl1477341

27. Alvimopan [orange Book]

28. Alvimopan Dihydrate [mi]

29. Dtxsid40168794

30. Hms3886i18

31. Alvimopan Dihydrate [mart.]

32. Bcp10120

33. Sb-767905

34. Hy-76657a

35. S5701

36. Akos015899533

37. Ac-8813

38. Am84590

39. Ccg-269339

40. Cs-1540

41. As-75035

42. Ba164152

43. Glycine, N-((2s)-2-(((3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-, Dihydrate

44. Glycine, N-(2-((4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-, Dihydrate, (3r-(1(s*),3alpha,4alpha))-

45. Glycine, N-(2-((4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-,dihydrate, (3r-(1(s*),3-alpha,4-alpha))-

46. D02878

47. D70720

48. 098a381

49. A882054

50. (2s, 3r, 4r)[[2-[[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl ]methyl]-1-oxo-3-phenylpropyl]-amino]acetic Acid Dihydrate

51. 2-((s)-2-benzyl-3-((3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic Acid Dihydrate

52. 2-[(2s)-2-{[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanamido]acetic Acid Dihydrate

53. 2-[(2s)-2-benzyl-3-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamido]acetic Acid Dihydrate

54. Glycine, N-(2-((4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-, Dihydrate, (3r-(1(s*),3.alpha.,4.alpha.))-

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 460.6 g/mol
Molecular Formula C25H36N2O6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass460.25733687 g/mol
Monoisotopic Mass460.25733687 g/mol
Topological Polar Surface Area91.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Gastrointestinal Agents

Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)


ABOUT THIS PAGE

170098-38-1 Manufacturers

A 170098-38-1 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of 170098-38-1, including repackagers and relabelers. The FDA regulates 170098-38-1 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. 170098-38-1 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

170098-38-1 Suppliers

A 170098-38-1 supplier is an individual or a company that provides 170098-38-1 active pharmaceutical ingredient (API) or 170098-38-1 finished formulations upon request. The 170098-38-1 suppliers may include 170098-38-1 API manufacturers, exporters, distributors and traders.

170098-38-1 GMP

170098-38-1 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 170098-38-1 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 170098-38-1 GMP manufacturer or 170098-38-1 GMP API supplier for your needs.

170098-38-1 CoA

A 170098-38-1 CoA (Certificate of Analysis) is a formal document that attests to 170098-38-1's compliance with 170098-38-1 specifications and serves as a tool for batch-level quality control.

170098-38-1 CoA mostly includes findings from lab analyses of a specific batch. For each 170098-38-1 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.

170098-38-1 may be tested according to a variety of international standards, such as European Pharmacopoeia (170098-38-1 EP), 170098-38-1 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (170098-38-1 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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