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86-21-5 molecular structure
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dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine

ChemBase ID: 1396
Molecular Formular: C16H20N2
Molecular Mass: 240.3434
Monoisotopic Mass: 240.16264865
SMILES and InChIs

SMILES:
N(CCC(c1ccccc1)c1ncccc1)(C)C
Canonical SMILES:
CN(CCC(c1ccccn1)c1ccccc1)C
InChI:
InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
InChIKey:
IJHNSHDBIRRJRN-UHFFFAOYSA-N

Cite this record

CBID:1396 http://www.chembase.cn/molecule-1396.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine
IUPAC Traditional name
pheniramine
Brand Name
AVIL
Inhiston
Metron
Pyriton
Trimeton
Tripoton
Synonyms
2-(alpha-(2-Dimethylaminoethyl)benzyl)pyridine
2-(3-Dimethylamino-1-phenylpropyl)pyridine
1-Phenyl-1-(2-pyridyl)-3-dimethylaminopropane
2-[.alpha.-(2-Dimethylaminoethyl)benzyl]pyridine
2-[.alpha.-[2-(Dimethylamino)ethyl]benzyl]pyridine
Dimethyl(3-phenyl-3-(2-pyridyl)propyl)amine
Feniramina [inn-spanish]
Feniramine
Pheniraminum [inn-latin]
Propheniramine
Prophenpyridamine
Pheniramine
CAS Number
86-21-5
PubChem SID
46505932
160964856
PubChem CID
4761

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB01620 external link
PubChem 4761 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) -0.4020406  LogD (pH = 7.4) 0.90866387 
Log P 2.9809062  Molar Refractivity 76.0455 cm3
Polarizability 29.749453 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 2.85  LOG S -2.8 
Solubility (Water) 3.77e-01 g/l 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB01620 external link
Item Information
Drug Groups approved
Description One of the histamine H1 antagonists with little sedative action. It is used in treatment of hay fever, rhinitis, allergic dermatoses, and pruritus. [PubChem]
Indication Pheniramine is an antihistamine used to treat allergic conditions such as hay fever or urticaria.
Pharmacology Pheniramine is an antihistamine used to treat allergic conditions such as hay fever or urticaria. It is generally sold in combination with other medications, rather than as a stand-alone drug. Allergies are caused by an excessive type 1 hypersensitivity response of the body to allergens, mediated by inappropriate histamine signalling. By inhibiting the binding of histamine, antihistamines decrease the normal histamine response from cells, consequently decreasing allergic symptoms.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic hydroxylation, demethylation and glucuronidation.
External Links
Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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