11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride - ≥98% , CAS No.111974-74-4

CAS: 111974-74-4 Cat. No.: P189711 Peso molecular: 368.32 Número EC: 700-276-9 PubChem CID: 19842188

GRADE & PURITY ≥98%

Synonyms

11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine Dihydrochloride | 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride | 11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine--hydrogen chloride (1/2) | KS-5300 | NCGC00370925-01 | Dibenzo[b,f][1,4]thiazep

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

11-(1-Piperazinyl)dibenzo[b, f][1, 4]thiazepine Dihydrochloride | 11-(1-Piperazinyl)-dibenzo[b, f][1, 4]thiazepine dihydrochloride | 11-(Piperazin-1-yl)dibenzo[b, f][1, 4]thiazepine--hydrogen chloride (1/2) | KS-5300 | NCGC00370925-01 | Dibenzo[b, f][1, 4]thiazep

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl
• IUPAC Name: 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride
• InChIKey: PZQCQHZDUIIKFU-UHFFFAOYSA-N
• INCHI: 1S/C17H17N3S.2ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;;/h1-8,18H,9-12H2;2*1H
• Isómeros SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl
• PubChem CID: 19842188
• Peso molecular: 368.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazepines
      • Subclass Dibenzothiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazepines
• Subclass: Dibenzothiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzothiazepines
• Alternative Parents: Diarylthioethers Piperazines Imidolactams Benzenoids Propargyl-type 1,3-dipolar organic compounds Dialkylamines Carboxamidines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzothiazepine - Diarylthioether - Aryl thioether - 1,4-diazinane - Piperazine - Benzenoid - Imidolactam - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Secondary amine - Amidine - Secondary aliphatic amine - Carboxylic acid amidine - Azacycle - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO,ethanol
• Peso molecular: 368.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 367.068 Da
• Monoisotopic Mass: 367.068 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 391.000
• 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: 3

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