Compound Identification
SMILES
O=[99Tc+3].CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1C1=CC(Cl)=C(Cl)C=C1)N2CCCN(CC[S-])CC([O-])=NCC[S-]
InChIKey
InChIKey=WJWSWBNFNRGTNK-CBSKOELUSA-K
Formula
C25H34Cl2N3O3S2Tc
Mass
658.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Tropane alkaloids
- Subclass Phenyltropanes
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Class
Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Phenyltropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltropanes
Alternative Parents
Phenylpiperidines Dichlorobenzenes Aralkylamines Aryl chlorides Beta-amino ketones N-alkylpyrrolidines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic transition metal salts Carboximidic acids Hydrocarbon derivatives Organic oxides Organic zwitterions Organochlorides Organosulfur compounds
Molecular Framework
Not available
Substituents
Phenyltropane - Phenylpiperidine - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Ketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic transition metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Organic zwitterion - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
External Descriptors
Not available