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91-81-6 molecular structure
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N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine

ChemBase ID: 671
Molecular Formular: C16H21N3
Molecular Mass: 255.35804
Monoisotopic Mass: 255.17354769
SMILES and InChIs

SMILES:
N(CCN(C)C)(Cc1ccccc1)c1ncccc1
Canonical SMILES:
CN(CCN(c1ccccn1)Cc1ccccc1)C
InChI:
InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKey:
UFLGIAIHIAPJJC-UHFFFAOYSA-N

Cite this record

CBID:671 http://www.chembase.cn/molecule-671.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine
IUPAC Traditional name
tripelennamine
Brand Name
Benzoxale
Cizaron
Dehistin
PBZ
Pbz-Sr
Piribenzil
Pyribenzamin
Pyribenzamine
Pyridbenzamine
Pyrinamine Base
Resistamine
Tonaril
Tripelannamine
Tripelenamine
Tripelennamin
Tripelennamina
Tripelennamine Hcl
Tripellenamine
Triplennamine
Synonyms
Tripelennamine
CAS Number
91-81-6
PubChem SID
46506125
160964134
PubChem CID
5587
ATC CODE
D04AA04
R06AC04
CHEMBL
1241
Chemspider ID
5385
DrugBank ID
DB00792
KEGG ID
D08645
Unique Ingredient Identifier
3C5ORO99TY
Wikipedia Title
Tripelennamine
Medline Plus
a601044

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) -0.067917235  LogD (pH = 7.4) 1.8188069 
Log P 3.2011924  Molar Refractivity 81.2749 cm3
Polarizability 30.94271 Å3 Polar Surface Area 19.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 3.05  LOG S -1.95 
Solubility (Water) 2.84e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Pharmacology Properties Bioassay(PubChem)
Solubility
587 mg/L expand Show data source
Hydrophobicity(logP)
3.3 expand Show data source
Admin Routes
Oral, Intravenous expand Show data source
Excretion
Renal expand Show data source
Half Life
4-6 hours expand Show data source
Metabolism
Hepatic hydroxylation and glucuronidation expand Show data source
Legal Status
Rx-only expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia
DrugBank - DB00792 external link
Item Information
Drug Groups approved
Description A histamine H1 antagonist with low sedative action but frequent gastrointestinal irritation. It is used to treat asthma; HAY fever; urticaria; and rhinitis; and also in veterinary applications. Tripelennamine is administered by various routes, including topically. [PubChem]
Indication Used for the symptomatic relief of hypersensitivity reactions, coughs, and the common cold.
Pharmacology Used to treat the effects of colds and allergies. Tripelennamine is an antihistamine. Histamine, acting on H1-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Tripelennamine is a histamine H1 antagonist. It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.
Toxicity Symptoms of overdose include clumsiness or unsteadiness, convulsions, drowsiness, dryness of mouth, nose, or throat, feeling faint, flushing or redness of face, hallucinations, muscle spasms (especially of neck and back), restlessness, shortness of breath or troubled breathing, shuffling walk, tic-like movements of head and face, trembling and shaking of hands and trouble in sleeping.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic
Absorption Well absorbed in the digestive tract.
External Links
Wikipedia
Drugs.com

REFERENCES

REFERENCES

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PATENTS

PATENTS

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