Tetrindole mesylate - ≥99%(HPLC) , CAS No.170964-68-8

CAS: 170964-68-8 Cat. No.: T287669 Summenformel: C₂₀H₂₆N₂.CH₃SO₃H Molekulargewicht: 390.54 PubChem CID: 54792409

QUALITÄT & REINHEIT ≥99%(HPLC)

Synonyms

2,3,3a,4,5,6-Hexahydro-8-cyclohexyl-1H-pyrazino[3,2,1-j,k]carbazole mesylate

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

2,3,3a,4,5,6-Hexahydro-8-cyclohexyl-1H-pyrazino[3,2,1-j,k]carbazole mesylate

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Novel antidepressant, a selective inhibitor of MAO-A.

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

CS(=O)(=O)O.C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5

IUPAC Name

12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;methanesulfonic acid

InChIKey

CWPNPYVNPOAMHY-UHFFFAOYSA-N

INCHI

1S/C20H26N2.CH4O3S/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18;1-5(2,3)4/h9-10,13-14,18,21H,1-8,11-12H2;1H3,(H,2,3,4)

Isomere SMILES

CS(=O)(=O)O.C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5

PubChem CID

54792409

Molekulargewicht

390.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: 3-alkylindoles Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Carbazole - 3-alkylindole - Indole - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• External Descriptors: racemate

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 39.05, Max Conc. mM: 100
• Molekulargewicht: 390.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 390.198 Da
• Monoisotopic Mass: 390.198 Da
• Topological Polar Surface Area: 79.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 495.000
• 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

Häufig gestellte Fragen

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

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 170964-68-8, the molecular formula is C??H??N?.CH?SO?H, and the molecular weight is 390.54 g/mol. InChIKey CWPNPYVNPOAMHY-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.