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Varenicline Hydrochloride Labeled ¹⁵N3 - 10mM in Water, high purity , CAS No.230615-23-3
Basic Description
Synonyms
Varenicline hydrochloride | 230615-23-3 | Varenicline (Hydrochloride) | Varenicline dihydrochloride | CP 526555 hydrochloride | DTXSID8048941 | 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 6,7,8,9-tetrahydro-, monohydrochloride | Varenicline HCl | DTXCID1028867 | CAS-230
Specifications & Purity
10mM in Water
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
Quinoxalines Indanes Azepines Aralkylamines Pyrazines Piperidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Diazanaphthalene - Quinoxaline - Indane - Azepine - Aralkylamine - Piperidine - Pyrazine - Benzenoid - Heteroaromatic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Hydrochloride - Amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene;hydrochloride
INCHI
InChI=1S/C13H13N3.ClH/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;/h1-2,4-5,8-9,14H,3,6-7H2;1H
InChIKey
ZUCZFANFKYSVKF-UHFFFAOYSA-N
Smiles
C1C2CNCC1C3=CC4=NC=CN=C4C=C23.Cl
Isomeric SMILES
C1C2CNCC1C3=CC4=NC=CN=C4C=C23.Cl
PubChem CID
50878597
Molecular Weight
247.72
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
247.720 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
247.088 Da
Monoisotopic Mass
247.088 Da
Topological Polar Surface Area
37.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
254.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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