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91-75-8 molecular structure
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N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

ChemBase ID: 6400
Molecular Formular: C17H19N3
Molecular Mass: 265.35286
Monoisotopic Mass: 265.15789762
SMILES and InChIs

SMILES:
N(CC1=NCCN1)(Cc1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1
InChI:
InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKey:
REYFJDPCWQRWAA-UHFFFAOYSA-N

Cite this record

CBID:6400 http://www.chembase.cn/molecule-6400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
N-benzyl-N-[(4,5-dihydro-1H-imidazol-2-yl)methyl]aniline
IUPAC Traditional name
antazoline
Brand Name
Antihistal
Antastan
Antasten
Antistin
Histostab
Vasocon-a
Synonyms
Phenazolin
Phenazoline
Antazoline
n-benzyl-n-(4,5-dihydro-1h-imidazol-2-ylmethyl)aniline
CAS Number
91-75-8
2508-72-7
154-68-7
EC Number
219-719-8
PubChem SID
160969707
PubChem CID
2200
ATC CODE
R01AC04
R06AX05
CHEMBL
1305
Chemspider ID
2115
DrugBank ID
DB08799
KEGG ID
D07458
Unique Ingredient Identifier
DHA8014SS1
Wikipedia Title
Antazoline

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 0.48078474  LogD (pH = 7.4) 1.1296244 
Log P 2.8763921  Molar Refractivity 82.8875 cm3
Polarizability 31.436258 Å3 Polar Surface Area 27.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 3.22  LOG S -3.37 
Solubility (Water) 1.14e-01 g/l 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C), Protect from light expand Show data source
RTECS
NJ2150000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Admin Routes
Topical (nasal, eye drops) expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia
MP Biomedicals - 02154787 external link
Hydrochloride
MP Biomedicals - 05210713 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB08799 external link
Item Information
Drug Groups approved
Description Antazoline is a 1st generation antihistamine that also anticholinergic properties used to relieve nasal congestion and in eye drops, usually in combination with naphazoline, to relieve the symptoms of allergic conjunctivitis.
Indication Used to relieve nasal congestion and in eye drops, usually in combination with naphazoline, to relieve the symptoms of allergic conjunctivitis.
Pharmacology Antazoline is a histamine H1 receptor antagonist. It selectively bind to but does not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
Affected Organisms
Humans and other mammals
References
Figus M, Fogagnolo P, Lazzeri S, Capizzi F, Romagnoli M, Canovetti A, Iester M, Ferreras A, Rossetti L, Nardi M: Treatment of allergic conjunctivitis: results of a 1-month, single-masked randomized study. Eur J Ophthalmol. 2010 Sep-Oct;20(5):811-8. [Pubmed]
External Links
Wikipedia

REFERENCES

REFERENCES

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  • • Figus M, Fogagnolo P, Lazzeri S, Capizzi F, Romagnoli M, Canovetti A, Iester M, Ferreras A, Rossetti L, Nardi M: Treatment of allergic conjunctivitis: results of a 1-month, single-masked randomized study. Eur J Ophthalmol. 2010 Sep-Oct;20(5):811-8. Pubmed
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PATENTS

PATENTS

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INTERNET

INTERNET

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