(2R,6R) 6-hydroxynorketamine - Moligand™ , CAS No.R607139

CAS: R607139 Cat. No.: R607139 PubChem CID: 89504167

GRADE & PURITY Moligand™

Synonyms

UNII-HB1X671CEU | HB1X671CEU | (2R,6R)HNK | (2R,6R)-HNK | HB3B4A37KE | Hydroxynorketamine (R,R;S,S) | HYDROXYNORKETAMINE, (2R,6R) | Hydroxynorketamine, (2R,6R)- | Cyclohexanone, 2-amino-2-(2-chlorophenyl)-6-hydroxy-, (2R,6R)- | cis-6-Hydroxy-norketamine |

Storage

Room temperature

Specifications

Synonyms

UNII-HB1X671CEU | HB1X671CEU | (2R, 6R)HNK | (2R, 6R)-HNK | HB3B4A37KE | Hydroxynorketamine (R, R;S, S) | HYDROXYNORKETAMINE, (2R, 6R) | Hydroxynorketamine, (2R, 6R)- | Cyclohexanone, 2-amino-2-(2-chlorophenyl)-6-hydroxy-, (2R, 6R)- | cis-6-Hydroxy-norketamine |

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: O[C@@H]1CCC[C@@](C1=O)(N)c1ccccc1Cl
• IUPAC Name: (2R,6R)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one
• InChIKey: CFBVGSWSOJBYGC-ZYHUDNBSSA-N
• INCHI: 1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m1/s1
• Isomeric SMILES: C1C[C@H](C(=O)[C@@](C1)(C2=CC=CC=C2Cl)N)O
• PubChem CID: 89504167

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Chlorobenzene - Aryl halide - Aryl chloride - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• Molecular Weight: 239.700 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.071 Da
• Monoisotopic Mass: 239.071 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1