Alimemazine Tartrate - 10mM in DMSO , CAS No.4330-99-8

CAS: 4330-99-8 Cat. No.: A423954 Peso molecular: 746.98 Número EC: 224-368-9

GRADE & PURITY 10mM in DMSO

Synonyms

Trimeprazine tartrate|Alimemazine tartrate|Alimemazine hemitartrate|4330-99-8|Panectyl|Vallergan|Repeltin|Therafene|Theralene|Vanectyl|Trimeprazine hemitartrate|Alimemazin (RR)-tartrat|Methylpromazine Tartrate|UNII-362NW1LD6Z|362NW1LD6Z|SKF 5277|EINECS 22

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Trimeprazine tartrate | Alimemazine tartrate | Alimemazine hemitartrate | 4330-99-8 | Panectyl | Vallergan | Repeltin | Therafene | Theralene | Vanectyl | Trimeprazine hemitartrate | Alimemazin (RR)-tartrat | Methylpromazine Tartrate | UNII-362NW1LD6Z | 362NW1LD6Z | SKF 5277 | EINECS 22

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

• Sonrisas canónicas: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)O
• IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
• InChIKey: AJZJIYUOOJLBAU-CEAXSRTFSA-N
• INCHI: 1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
• Isómeros SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• RTECS: SO6475000
• Peso molecular: 746.98
• Reaxy-Rn: 4286882
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4286882&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Diarylthioethers Sugar acids and derivatives Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives 1,4-thiazines Alpha hydroxy acids and derivatives Benzenoids Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Secondary alcohols 1,2-diols Trialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Fatty acid - Benzenoid - Alpha-hydroxy acid - Para-thiazine - Dicarboxylic acid or derivatives - Monosaccharide - Hydroxy acid - Tertiary aliphatic amine - Tertiary amine - 1,2-diol - Secondary alcohol - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 153 - 163 °C
• Peso molecular: 747.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 746.317 Da
• Monoisotopic Mass: 746.317 Da
• Topological Polar Surface Area: 179.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 445.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 2
• 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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