tapentadol   Click here for help

GtoPdb Ligand ID: 7477

Synonyms: BN-200 | CG-5503 | Nucynta® | Palexia®
Approved drug
tapentadol is an approved drug (FDA (2008))
Compound class: Synthetic organic
Comment: The marketed formulation contains tapentadol hydrochloride (PubChem CID 9838021).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 221.18
XLogP 3.25
No. Lipinski's rules broken 0
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Canonical SMILES CCC(c1cccc(c1)O)C(CN(C)C)C
Isomeric SMILES CC[C@@H](c1cccc(c1)O)[C@H](CN(C)C)C
InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8216 tapentadol
Synonyms Click here for help
BN-200 | CG-5503 | Nucynta® | Palexia®
Database Links Click here for help
Specialist databases
GPCRdb Ligand tapentadol
Other databases
CAS Registry No. 175591-23-8
ChEMBL Ligand CHEMBL1201776
DrugBank Ligand DB06204
DrugCentral Ligand 4283
GtoPdb PubChem SID 187051780
PubChem CID 9838022
Search Google for chemical match using the InChIKey KWTWDQCKEHXFFR-SMDDNHRTSA-N
Search Google for chemicals with the same backbone KWTWDQCKEHXFFR
Search PubMed clinical trials tapentadol
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Search PubMed titles/abstracts tapentadol
UniChem Compound Search for chemical match using the InChIKey KWTWDQCKEHXFFR-SMDDNHRTSA-N
UniChem Connectivity Search for chemical match using the InChIKey KWTWDQCKEHXFFR-SMDDNHRTSA-N
Wikipedia Tapentadol