Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01405)
Name
Rotigotine
Synonyms    Click to Show/Hide the Synonyms of This API
Rotigotine; 99755-59-6; Neupro; Leganto; SPM 962; (S)-6-(propyl(2-(thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol; (6S)-rotigotine; UNII-87T4T8BO2E; (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol; SPM-962; N 0923; CHEMBL1303; 87T4T8BO2E; 99755-59-6 (free base); (6S)-6-(Propyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol; NCGC00168748-01; Rotigotine CDS Patch; (6s)-5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthalenol; DSSTox_CID_26772; DSSTox_RID_81893; DSSTox_GSID_46772; C19H25NOS; Rotigotine CDS; (S)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol; (S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-tetrahydro-naphthalen-1-ol; CAS-99755-59-6; Neupro (TN); N-0923; Rotigotine [USAN:INN:BAN]; (S)-5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthol; (S)-6-[Propyl[2-(thiophen-2-yl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-1-ol; SPM-936; SPM-937; PubChem16423; (-)-(S)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol; GTPL941; cc-129; Rotigotine (JAN/USAN/INN); (-)-N-0437; SCHEMBL1088585; ZINC4028; DTXSID5046772; HSDB 8254; (2S)-2-[propyl-[2-(2-thienyl)ethyl]amino]tetralin-5-ol; CHEBI:135351; HMS3885D17; EX-A1164; Tox21_112627; 2696AH; BDBM50123626; MFCD00870193; s4274; AKOS016340728; Tox21_112627_1; AC-3547; CCG-267650; CS-0376; DB05271; SB19528; SS-4572; 1-naphthalenol, 5,6,7,8-tetrahydro-6-(propyl (2-(2-thienyl)ethyl)amino-(6S)-; NCGC00168748-02; HY-75502; AB0088886; SW220014-1; D05768; W-5179; 572R932; A846076; Q411985; J-502471; UNII-5QTR54Z0E1 component KFQYTPMOWPVWEJ-INIZCTEOSA-N; (6S)-6-(propyl-(2-thiophen-2-ylethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol; 1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-, (6S)-
Clinical Status
Approved
PubChem CID
59227
Formula
C19H25NOS
Canonical SMILES
CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O
InChI
1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
InChIKey
KFQYTPMOWPVWEJ-INIZCTEOSA-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=59227"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 315.5 Topological Polar Surface Area 51.7
XlogP 4.9 Complexity 337
Heavy Atom Count 22 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Rotigotine 1mg extended release film 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
Ascorbyl Palmitate; Povidone; Silicone Adhesive; Sodium Metabisulfite; Dl-Alphatocopherol
                   Dosage Form Extended Release Film
                   Company Ucb
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Ascorbyl palmitate DIG Info Thiosulfate sulfurtransferase (IC50 = 53000 nM) [1]
DL-alpha-tocopherol DIG Info Presenilin 1 (EC50 > 100000 nM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
          Rotigotine 2mg extended release film 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
Ascorbyl Palmitate; Povidone; Silicone Adhesive; Sodium Metabisulfite; Dl-Alphatocopherol
                   Dosage Form Extended Release Film
                   Company Ucb
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Ascorbyl palmitate DIG Info Thiosulfate sulfurtransferase (IC50 = 53000 nM) [1]
DL-alpha-tocopherol DIG Info Presenilin 1 (EC50 > 100000 nM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
          Rotigotine 3mg extended release film 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
Ascorbyl Palmitate; Povidone; Silicone Adhesive; Sodium Metabisulfite; Dl-Alphatocopherol
                   Dosage Form Extended Release Film
                   Company Ucb
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Ascorbyl palmitate DIG Info Thiosulfate sulfurtransferase (IC50 = 53000 nM) [1]
DL-alpha-tocopherol DIG Info Presenilin 1 (EC50 > 100000 nM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
          Rotigotine 4mg extended release film 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
Ascorbyl Palmitate; Povidone; Silicone Adhesive; Sodium Metabisulfite; Dl-Alphatocopherol
                   Dosage Form Extended Release Film
                   Company Ucb
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Ascorbyl palmitate DIG Info Thiosulfate sulfurtransferase (IC50 = 53000 nM) [1]
DL-alpha-tocopherol DIG Info Presenilin 1 (EC50 > 100000 nM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
          Rotigotine 6mg extended release film 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
Ascorbyl Palmitate; Povidone; Silicone Adhesive; Sodium Metabisulfite; Dl-Alphatocopherol
                   Dosage Form Extended Release Film
                   Company Ucb
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Ascorbyl palmitate DIG Info Thiosulfate sulfurtransferase (IC50 = 53000 nM) [1]
DL-alpha-tocopherol DIG Info Presenilin 1 (EC50 > 100000 nM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
          Rotigotine 8mg extended release film 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
Ascorbyl Palmitate; Povidone; Silicone Adhesive; Sodium Metabisulfite; Dl-Alphatocopherol
                   Dosage Form Extended Release Film
                   Company Ucb
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Ascorbyl palmitate DIG Info Thiosulfate sulfurtransferase (IC50 = 53000 nM) [1]
DL-alpha-tocopherol DIG Info Presenilin 1 (EC50 > 100000 nM) [2]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [3]
References
1 HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules. Bioorg Med Chem Lett. 2019 May 1; 29(9):1106-1112.
2 Membrane anchoring -secretase modulators with terpene-derived moieties. Bioorg Med Chem Lett. 2013 Jul 1; 23(13):3852-6.
3 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.

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