WY 45233 succinate - ≥98% , Norepinephrine transporter inhibitor, CAS No.448904-47-0, Norepinephrine transporter inhibitor

CAS: 448904-47-0 Cat. No.: W286534 Molecular Weight: 381.46 EC Number: 112-525-3 PubChem CID: 9800068

GRADE & PURITY ≥98%

Synonyms

Desvenlafaxine Succinate | Dvs anhydrous | NSC 51780 | SCHEMBL272654 | 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol succinate | WY 45233 succinate | DESVENLAFAXINE SUCCINATE ANHYDROUS [MI] | O-Desmethylvenlafaxine succinate | DTXSID701044359 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Desvenlafaxine Succinate | Dvs anhydrous | NSC 51780 | SCHEMBL272654 | 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol succinate | WY 45233 succinate | DESVENLAFAXINE SUCCINATE ANHYDROUS [MI] | O-Desmethylvenlafaxine succinate | DTXSID701044359 |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Serotonin and noradrenalin reuptake inhibitor (SNRI); selective for human serotonin (SERT) and noradrenalin (NET) transporters against 96 other targets (Kivalues are 40.2 and 558.4 nM for SERT and NET respectively). Inhibits [3H]5-HT and [3H]NE uptake (IC

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.

Action Type

INHIBITOR

Mechanism of action

Norepinephrine transporter inhibitor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764865
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764865
• Canonical Smiles: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O
• IUPAC Name: butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
• InChIKey: ORUUBRMVQCKYHB-UHFFFAOYSA-N
• INCHI: 1S/C16H25NO2.C4H6O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
• Isomeric SMILES: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O
• PubChem CID: 9800068
• Molecular Weight: 381.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Fatty acids and conjugates Dicarboxylic acids and derivatives Benzene and substituted derivatives Tertiary alcohols 1,3-aminoalcohols Trialkylamines Cyclic alcohols and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Cyclohexanol - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Cyclic alcohol - 1,3-aminoalcohol - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 19.07, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 38.15, Max Conc. mM: 100
• Molecular Weight: 381.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 381.215 Da
• Monoisotopic Mass: 381.215 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 359.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3