Fosnetupitant chloride , Neurokinin 1 receptor antagonist, CAS No.1643757-72-5, Neurokinin 1 receptor antagonist

CAS: 1643757-72-5 Cat. No.: F671300 Peso molecular: 761.5 PubChem CID: 86764535

Synonyms

Fosnetupitant chloride | FOSNETUPITANT CHLORIDE HYDROCHLORIDE [WHO-DD] | UNII-ZR36MFA9P8 | Fosnetupitant (chloride monohydrochloride ) | Fosnetupitant dihydrochloride | FOSNETUPITANT CHLORIDE HYDROCHLORIDE COMPONENT OF AKYNZEO FOR INJECTION | SCHEMBL16343

Storage

Room temperature

Specifications

Sinónimos

Fosnetupitant chloride | FOSNETUPITANT CHLORIDE HYDROCHLORIDE [WHO-DD] | UNII-ZR36MFA9P8 | Fosnetupitant (chloride monohydrochloride ) | Fosnetupitant dihydrochloride | FOSNETUPITANT CHLORIDE HYDROCHLORIDE COMPONENT OF AKYNZEO FOR INJECTION | SCHEMBL16343

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

ANTAGONIST

Mecanismo de acción

Neurokinin 1 receptor antagonist

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)COP(=O)(O)O.Cl.[Cl-]
• IUPAC Name: [4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)pyridin-2-yl]-1-methylpiperazin-1-ium-1-yl]methyl dihydrogen phosphate;chloride;hydrochloride
• InChIKey: LBTQUZNIWCWBNN-UHFFFAOYSA-N
• INCHI: 1S/C31H35F6N4O5P.2ClH/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37;;/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45);2*1H
• Isómeros SMILES: CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)COP(=O)(O)O.Cl.[Cl-]
• PubChem CID: 86764535
• Peso molecular: 761.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Phenylpyridines Trifluoromethylbenzenes Phenylacetamides Phenylpropanes Dialkylarylamines Aminopyridines and derivatives Toluenes Monoalkyl phosphates N-methylpiperazines Imidolactams Tetraalkylammonium salts Heteroaromatic compounds Tertiary carboxylic acid amides Azacyclic compounds Organic chloride salts Carbonyl compounds Hydrochlorides Hydrocarbon derivatives Alkyl fluorides Organic oxides Organic zwitterions Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Pyridinylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Phenylacetamide - Phenylpropane - Dialkylarylamine - Aminopyridine - Toluene - N-methylpiperazine - N-alkylpiperazine - Monoalkyl phosphate - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Pyridine - Alkyl phosphate - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic salt - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Hydrochloride - Alkyl fluoride - Organic zwitterion - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a 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