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Spiclomazine , CAS No.24527-27-3
Basic Description
Synonyms
NCI290956 | Q27278666 | Clospirazine | CS-0675599 | DTXSID9043851 | Spiclomazine [INN] | G2V8248111 | CHEBI:135727 | 8-(3-(2-Chloro-10-phenothiazinyl)propyl)-1-thia-4,8-diazaspiro(4,5)decan-3-one | Espiclomazina | Espiclomazina [INN-Spanish] | NCGC0001464
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Spiclomazine is a derivative of phenothiazine.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazines
Subclass
Phenothiazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenothiazines
Alternative Parents
Alkyldiarylamines Diarylthioethers Azaspirodecane derivatives 1,4-thiazines Aryl chlorides Benzenoids Piperidines Thiazolidines Lactams Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenothiazine - Alkyldiarylamine - Diarylthioether - Azaspirodecane - Aryl thioether - Tertiary aliphatic/aromatic amine - Para-thiazine - Aryl chloride - Aryl halide - Piperidine - Benzenoid - Thiazolidine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hemithioaminal - Thioether - Dialkylthioether - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
8-[3-(2-chlorophenothiazin-10-yl)propyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
INCHI
InChI=1S/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)
InChIKey
CFOYBMUYCBSDAL-UHFFFAOYSA-N
Smiles
C1CN(CCC12NC(=O)CS2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
Isomeric SMILES
C1CN(CCC12NC(=O)CS2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
PubChem CID
65714
Molecular Weight
446.03
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
171-174° C
Molecular Weight
446.000 g/mol
XLogP3
5.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
445.105 Da
Monoisotopic Mass
445.105 Da
Topological Polar Surface Area
86.200 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
601.000
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
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