Promethazine sulfoxide - ≥97% , CAS No.7640-51-9

CAS: 7640-51-9 Cat. No.: P694090 Summenformel: C₁₇H₂₀N₂OS Molekulargewicht: 300.42 EG-Nummer: 642-098-3 PubChem CID: 63032

GRADE & PURITY ≥97%

Synonyms

(2RS)-N,N-Dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine S-oxide | Promethazine 5-sulfoxide | 10-(2-(Dimethylamino)propyl)-10H-phenothiazine 5-oxide | N,N-dimethyl-1-(5-oxophenothiazin-10-yl)propan-2-amine

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

(2RS)-N,N-Dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine S-oxide | Promethazine 5-sulfoxide | 10-(2-(Dimethylamino)propyl)-10H-phenothiazine 5-oxide | N,N-dimethyl-1-(5-oxophenothiazin-10-yl)propan-2-amine

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528771699

Kanonisches Lächeln

CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)N(C)C

IUPAC Name

N,N-dimethyl-1-(5-oxophenothiazin-10-yl)propan-2-amine

InChIKey

OWTCLFIFAFHQIX-UHFFFAOYSA-N

INCHI

1S/C17H20N2OS/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)21(20)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3

Isomere SMILES

CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)N(C)C

PubChem CID

63032

Molekulargewicht

300.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Benzenoids 1,4-thiazines Trialkylamines Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Tertiary aliphatic/aromatic amine - Para-thiazine - Benzenoid - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 300.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 300.13 Da
• Monoisotopic Mass: 300.13 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 361.000
• 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: 1