Roxindole hydrochloride - ≥98%(HPLC) , CAS No.108050-82-4

CAS: 108050-82-4 Cat. No.: R287508 Formula: C₂₃H₂₆N₂O.HCl Peso molecolare: 382.93 PubChem CID: 9886286

GRADE & PURITY ≥98%(HPLC)

Synonyms

UNII-NS63HO5457 | DTXSID1042605 | Roxindole hydrochloride [MI] | Emd 49980 | 3-(4-(4-Phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)-1H-indol-5-ol hydrochloride | 3-[4-(3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDINYL)BUTYL]-1H-INDOL-5-OL HYDROCHLORIDE | NS63HO5457 | 3-(4-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

UNII-NS63HO5457 | DTXSID1042605 | Roxindole hydrochloride [MI] | Emd 49980 | 3-(4-(4-Phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)-1H-indol-5-ol hydrochloride | 3-[4-(3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDINYL)BUTYL]-1H-INDOL-5-OL HYDROCHLORIDE | NS63HO5457 | 3-(4-

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

Dopamine D2autoreceptor agonist, with affinity for D3, D4and 5-HT1receptors (pKivalues are 8.55, 8.93, 8.23, 9.42, 6.00 and 7.05 for human D2, D3, D4, 5-HT1A, 5-HT1Band 5-HT1Dreceptors). Inhibits 5-HT uptake and is antidepressantin vivo.

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(HPLC)

Nomi e identificatori

Sorrisi canonici

C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)O.Cl

IUPAC Name

3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol;hydrochloride

InChIKey

ZCEPVNSWLLJECX-UHFFFAOYSA-N

INCHI

1S/C23H26N2O.ClH/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2;1H

Isomeri SMILES

C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)O.Cl

PubChem CID

9886286

Peso molecolare

382.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: 3-alkylindoles Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Hydropyridines Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - 3-alkylindole - Indole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 19.15, Max Conc. mM: 50 with gentle warming
• Peso molecolare: 382.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 382.181 Da
• Monoisotopic Mass: 382.181 Da
• Topological Polar Surface Area: 39.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 471.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 108050-82-4, the molecular formula is C??H??N?O.HCl, and the molecular weight is 382.93 g/mol. InChIKey ZCEPVNSWLLJECX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.