Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00026)
Name
Alvimopan
Synonyms    Click to Show/Hide the Synonyms of This API
Alvimopan; 156053-89-3; Alvimopan anhydrous; Adl 8-2698; Entereg; LY246736; UNII-Q153V49P3Z; Q153V49P3Z; 2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic acid; ((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoyl)glycine; Glycine, N-[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]-; LY-246736 dihydrate; C25H32N2O4; LY 246736; anhydrous alvimopan; Alvimopan [INN]; ADL-8-2698; trans-3,4-dimethyl-4-(3-hydroxyphenyl) piperidine; LY-246736; Glycine, N-((2S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-; SCHEMBL49578; 145590-44-9; 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid; CHEMBL270190; GTPL7471; Alvimopan, >=98% (HPLC); HSDB 7704; DTXSID60166035; CHEBI:135686; HMS3886B09; ZINC3802417; BDBM50088381; MFCD09838268; AKOS015896476; ACN-047960; CS-0536; DB06274; NCGC00378640-01; NCGC00378640-02; NCGC00378640-03; AS-35088; HY-13243; A11881; W-5416; 053A893; SR-01000945029; Q4738021; SR-01000945029-1; [[(S)-2-Benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propionyl]amino]acetic acid; 2-[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamido]acetic acid; 2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-phenylpropanoyl]amino]acetic acid
Clinical Status
Approved
Disease Indication Gastrointestinal disease ICD-11: DE2Z [1]
PubChem CID
5488548
Formula
C25H32N2O4
Canonical 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
InChI
1S/C25H32N2O4/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)/t18-,20-,25+/m0/s1
InChIKey
UPNUIXSCZBYVBB-JVFUWBCBSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=5488548"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 424.5 Topological Polar Surface Area 89.9
XlogP 1.7 Complexity 606
Heavy Atom Count 31 Rotatable Bond Count 8
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Alvimopan 12 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Polyethylene glycol 3350
                   Dosage Form Oral Capsule
                   Company Adolor Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Polyethylene glycol 3350 DIG Info Albendazole monooxygenase (Protein expression upregulation) [2]
References
1 FDA label for approved alvimopan from the official website of the U.S. Food and Drug Administration.
2 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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