Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01378)
Name
Regadenoson
Synonyms    Click to Show/Hide the Synonyms of This API
Regadenoson; 313348-27-5; Lexiscan; Rapiscan; UNII-7AXV542LZ4; CVT-3146; 7AXV542LZ4; CHEMBL317052; 2-[4-[(Methylamino)carbonyl]-1H-pyrazol-1-yl]adenosine; Adenosine, 2-[4-[(methylamino)carbonyl]-1H-pyrazol-1-yl]-; 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide; 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide; Lexiscan (TN); CVT 3146; Regadenoson [USAN:INN]; Adenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-; Regadenoson anhydrous; Regadenoson monohydrate; Regadenoson (USAN/INN); Regadenoson; CVT-3146; DSSTox_CID_31501; DSSTox_RID_97386; DSSTox_GSID_57712; SCHEMBL678893; GTPL5596; DTXSID4057712; AOB6869; CHEBI:135613; HMS3886O21; AMY27715; EX-A2148; HY-A0168; Tox21_113668; BDBM50119132; s5358; ZINC13818943; AKOS026750593; CCG-268525; CS-5612; CV-3146; DB06213; 1-(6-Amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide; NCGC00249892-01; (1-(9-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6-aminopurin-2-yl)pyrazol-4-yl)-N-methylcarboxamide; AS-56292; AT-36942; B5904; CAS-313348-27-5; CVT-3146;CVT3146;CVT 3146; D05711; 348R275; J-018384; Q7307897; (1-{9-[(4s,2r,3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-n-methylcarboxamide; 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide; 1-{6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-N-methyl-1H-pyrazole-4-carboxamide; 6-Amino-2-[4-(methylcarbamoyl)-1H-pyrazol-1-yl]purine-9-yl-beta-D-ribofuranoside;1-(6-amino-9-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yloxy)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
Clinical Status
Approved
PubChem CID
219024
Formula
C15H18N8O5
Canonical SMILES
CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI
1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
InChIKey
LZPZPHGJDAGEJZ-AKAIJSEGSA-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=219024"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 390.35 Topological Polar Surface Area 187
XlogP -1.5 Complexity 587
Heavy Atom Count 28 Rotatable Bond Count 4
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10
Full List of Drug Formulations (DFMs) Containing This API
          Regadenoson 0.4mg/5ml solution 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
Dibasic Sodium Phosphate Dihydrate/Dibasic Sodium Phosphate Anhydrous; Monobasic Sodium Phosphate Monohydrate; Propylene Glycol; Edetate Disodium Dihydrate; Water For Injection
                   Dosage Form Solution
                   Company Astellas
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Propylene glycol DIG Info Albendazole monooxygenase (Inhibition ratio < 20 %) [1]
References
1 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.

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