Elzasonan hydrochloride , Serotonin 1d (5-HT1d) receptor antagonist, CAS No.205683-38-1, Serotonin 1d (5-HT1d) receptor antagonist

CAS: 205683-38-1 Cat. No.: E671020 Molecular Weight: 484.9

Synonyms

Elzasonan hydrochloride | UNII-X38F62RR8L | CP-448,187-01 | X38F62RR8L | (2Z)-4-(3,4-dichlorophenyl)-2-(2-(4-methylpiperazin-1-yl)benzylidene)thiomorpholin-3-one monohydrochloride | D03983 | 3-Thiomorpholinone, 4-(3,4-dichlorophenyl)-2-[[2-(4-methyl-1-pip

Storage

Room temperature

Specifications

Synonyms

Elzasonan hydrochloride | UNII-X38F62RR8L | CP-448, 187-01 | X38F62RR8L | (2Z)-4-(3, 4-dichlorophenyl)-2-(2-(4-methylpiperazin-1-yl)benzylidene)thiomorpholin-3-one monohydrochloride | D03983 | 3-Thiomorpholinone, 4-(3, 4-dichlorophenyl)-2-[[2-(4-methyl-1-pip

Storage

Room temperature

Action Type

ANTAGONIST

Mechanism of action

Serotonin 1d (5-HT1d) receptor antagonist

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)C2=CC=CC=C2C=C3C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl.Cl
• IUPAC Name: (2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one;hydrochloride
• InChIKey: NMTRXBJYASHMND-UXTSPRGOSA-N
• INCHI: 1S/C22H23Cl2N3OS.ClH/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17;/h2-7,14-15H,8-13H2,1H3;1H/b21-14-
• Isomeric SMILES: CN1CCN(CC1)C2=CC=CC=C2/C=C\3/C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl.Cl
• Molecular Weight: 484.9
• Reaxy-Rn: 44509627
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44509627&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: Phenylthiomorpholines N-arylpiperazines Aniline and substituted anilines Dichlorobenzenes Dialkylarylamines N-methylpiperazines Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Thioenol ethers Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - 4-phenylthiomorpholine - N-arylpiperazine - 1,2-dichlorobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Halobenzene - Chlorobenzene - Benzenoid - 1,4-thiazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Tertiary aliphatic amine - Thioenolether - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Carbonyl group - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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