Varenicline Hydrochloride - ≥98% , CAS No.230615-23-3

CAS: 230615-23-3 Cat. No.: V342404 Molecular Weight: 247.72 PubChem CID: 50878597

GRADE & PURITY ≥98%

Synonyms

DTXSID8048941 | CP 526555 hcl; Chantix; Champix | DTXCID1028867 | s5022 | Tox21_112901_1 | CP-526555-18 HCl | AKOS005146499 | Varenicline dihydrochloride | HY-10020 | 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 6,7,8,9-tetrahydro-, monohydrochloride |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DTXSID8048941 | CP 526555 hcl; Chantix; Champix | DTXCID1028867 | s5022 | Tox21_112901_1 | CP-526555-18 HCl | AKOS005146499 | Varenicline dihydrochloride | HY-10020 | 6, 10-Methano-6H-pyrazino[2, 3-h][3]benzazepine, 6, 7, 8, 9-tetrahydro-, monohydrochloride |

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770962
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770962
• Canonical Smiles: C1C2CNCC1C3=CC4=NC=CN=C4C=C23.Cl
• IUPAC Name: 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene;hydrochloride
• InChIKey: ZUCZFANFKYSVKF-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C1C2CNCC1C3=CC4=NC=CN=C4C=C23.Cl
• PubChem CID: 50878597
• Molecular Weight: 247.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 247.720 g/mol
• 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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