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
SMILES / InChI / InChIKey
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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
InChI Key KWTWDQCKEHXFFR-SMDDNHRTSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name Click here for help
3-[(2R,3R)-1-dimethylamino-2-methylpentan-3-yl]phenol
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
CAS Registry No. 175591-23-8
ChEMBL Ligand CHEMBL1201776
DrugBank Ligand DB06204
DrugCentral Ligand 4283
GtoPdb PubChem SID 187051780
PubChem CID 9838022
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Wikipedia Tapentadol