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33178-86-8 molecular structure
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N-(2,6-dichlorophenyl)-N-(prop-2-en-1-yl)-4,5-dihydro-1H-imidazol-2-amine

ChemBase ID: 125678
Molecular Formular: C12H13Cl2N3
Molecular Mass: 270.15772
Monoisotopic Mass: 269.04865279
SMILES and InChIs

SMILES:
Clc1cccc(Cl)c1N(C1=NCCN1)CC=C
Canonical SMILES:
C=CCN(c1c(Cl)cccc1Cl)C1=NCCN1
InChI:
InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)
InChIKey:
OXTYVEUAQHPPMV-UHFFFAOYSA-N

Cite this record

CBID:125678 http://www.chembase.cn/molecule-125678.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,6-dichlorophenyl)-N-(prop-2-en-1-yl)-4,5-dihydro-1H-imidazol-2-amine
IUPAC Traditional name
alinidine
Synonyms
Alinidine
N-(2,6-Dichlorophenyl)-4,5-dihydro-N-2-propenyl-1H-imidazol-2-amine
ST-567
Alinidine
CAS Number
33178-86-8
MDL Number
MFCD00864689
PubChem SID
24891193
162220028
PubChem CID
36354
CHEMBL
278581
Chemspider ID
33429
Unique Ingredient Identifier
E7IDJ8DS1D
Wikipedia Title
Alinidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A7230 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1629667  LogD (pH = 7.4) 2.5587137 
Log P 3.3872712  Molar Refractivity 72.4863 cm3
Polarizability 27.172962 Å3 Polar Surface Area 27.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: >10 mg/mL expand Show data source
Apperance
off-white solid expand Show data source
Storage Condition
under inert gas expand Show data source
RTECS
NJ1552500 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Legal Status
Uncontrolled expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C12H13Cl2N3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - A7230 external link
Caution
Air-sensitive
Biochem/physiol Actions
Alinidine is an HCN Channel blocker of neuronal Ih, related cardiac If channels and ATP-sensitive Kir channels. It is an analog of clonidine; bradycardic and antiarrhythmic agent (sinus tachyarrhythmias). Alinidine affects physiological markers in conscious dogs. Alinidine in four intravenous (i.v.) injections of 0.5, 0.5, 1, and 2 mg/kg, decreased sinus rate (< or = 43%) and ventricular rate (< or = 44%), but increased atrial rate (< or = 31%). It lengthened CSRT (< or = 71%) at the two highest doses and increased AERP (< or = 33%) and decreased WP (< or = 33%) at all doses. Alinidine did not modify mean blood pressure at any dose in either group. These results indicate that alinidine exhibits electrophysiologic effects in conscious dogs that reflect the marked antiarrhythmic potential of this agent, apart from its assumed antiischemic properties.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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