7-Hydroxyquetiapine , CAS No.139079-39-3

CAS: 139079-39-3 Cat. No.: H1443832 Peso molecular: 399.51 Número EC: 802-915-8 PubChem CID: 132203

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

7-Hydroxyquetiapine (ICI 214227) is the major active metabolite of antipsychotic medicine Quetiapine.

Specifications

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.

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42
• IUPAC Name: 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol
• InChIKey: VEGVCHRFYPFJFO-UHFFFAOYSA-N
• INCHI: 1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2
• Isómeros SMILES: C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42
• WGK Alemania: 1
• PubChem CID: 132203
• Peso molecular: 399.51

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 N-alkylpiperazines 1-hydroxy-2-unsubstituted benzenoids Imidolactams Trialkylamines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboxamidines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzothiazepine - Diarylthioether - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Imidolactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid amidine - Dialkyl ether - Ether - Amidine - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic nitrogen compound - Organic oxygen compound - Amine - 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

• Punto de inflamación (°F): 48.2 °F
• Punto de inflamación (°C): 9 °C