Thenalidine
Basic information
- CAS
86-12-4- Standard SMILES
CN1CCC(N(Cc2cccs2)c2ccccc2)CC1- InChIKey
KLOHYVOVXOUKQI-UHFFFAOYSA-N- Molecular formula
- C17H22N2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.15036988
Overview
Thenalidine is a dialkylarylamine and a tertiary amino compound.
Names & identifiers
- Preferred name
- Thenalidine
- IUPAC
- 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
- English name
- thenalidine
- Molecular formula
- C17H22N2S
- Molecular weight
- 286.43
Names & synonyms
ThenalidineThenophenopiperidine86-12-4Thenaldine1-Methyl-4-N-2-thenylanilinopiperidineTenalidinaThenalidinumDTXSID10488351-Methyl-4-amino-N-phenyl-N-(2-thenyl)piperidine4-Piperidinamine, 1-methyl-N-phenyl-N-(2-thienylmethyl)-1-Methyl-N-phenyl-N-[(thiophen-2-yl)methyl]piperidin-4-amine1-methyl-4-(N-2-thenylanilino)piperidine
Show more names
ThenalidinSandostenethenalidine USP/EP/BP1-Methyl-4-[phenyl(2-thienylmethyl)amino]piperidine
6U94N2D00FDTXCID80287611-methyl-N-phenyl-N-((thiophen-2-yl)methyl)piperidin-4-amineRefChem:189163D04AA03R06AX03201-651-5Sanbosten
Database identifiers
- CAS
86-12-4- PubChem CID
- 27901
- DTXSID
DTXSID1048835- ChEMBL
CHEMBL2105458- ChEBI
CHEBI:135187- UNII
- 6U94N2D00F
- EC Number
- 201-651-5
- Nikkaji
- J4.932H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 95 · 95-97°
- Boiling point
- 0.02 · bp0.02 158-160°
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- pka
- 3.36 · pKa 3.36±0.06(H2O t undefined I = 0.30 (NaCl)) (Uncertain);8.39±0.07(H2O t undefined I = 0.30 (NaCl)) (Uncertain)
- FDA UNII
- 6 U94N2D00F · 6U94N2D00F
- ATC code
- 4 AA03,R06AX03,R06AX53 · D04AA03,R06AX03,R06AX53
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
R - Respiratory system
QR - Respiratory system
QD - Dermatologicals
Applications
UsesThenalidine is an antihistamine that has anticholinergic properties which is used as an antipruritic drugs.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Thenalidine is a dialkylarylamine and a tertiary amino compound.
Suppliers
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Related reactions
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Compound notes
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