2-Hidroxi Promazina - ≥95% , CAS No.3926-64-5

CAS: 3926-64-5 Cat. No.: H337456 Fórmula: C₁₇H₂₀N₂OS Peso molecular: 300.42

GRADE & PURITY ≥95%

Synonyms

2-Hidroxipromazina | Fenotiazina, 10-(3-(dimetilamino)propil)-2-hidroxi- | 2-Hidroxipromazina | 2-Hidroxi-10-(3-(dimetilamino)propil)fenotiazina | 10-[3-(dimetilamino)propil]-10h-fenotiazina-2-ol | 10H-Fenotiazina-2-ol, 10-(3-(dimetilamino)prop

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Um metabolito da promazina.

Specifications

Sinónimos

2-Hidroxipromazina | Fenotiazina, 10-(3-(dimetilamino)propil)-2-hidroxi- | 2-Hidroxipromazina | 2-Hidroxi-10-(3-(dimetilamino)propil)fenotiazina | 10-[3-(dimetilamino)propil]-10h-fenotiazina-2-ol | 10H-Fenotiazina-2-ol, 10-(3-(dimetilamino)prop

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504755186

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755186

Sorrisos canónicos

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)O

IUPAC Name

10-[3-(dimethylamino)propyl]phenothiazin-2-ol

InChIKey

YMVFQWULFRMLRA-UHFFFAOYSA-N

INCHI

1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-9-8-13(20)12-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3

SMILES isoméricas

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)O

Peso molecular

300.42

Reaxy-Rn

1085194

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1085194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Diarylthioethers 1-hydroxy-2-unsubstituted benzenoids 1,4-thiazines Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - 1-hydroxy-2-unsubstituted benzenoid - Para-thiazine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine 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

Propriedades químicas e físicas

• Ponto de fusão (°C): >58° C (dec.)
• Peso molecular: 300.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 300.13 Da
• Monoisotopic Mass: 300.13 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 339.000
• 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: 1