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)[N-]CC[S-]
InChIKey
InChIKey=BMKOUGUJIYGBNH-XLLFKMGPSA-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 Alpha amino acids and derivatives Dichlorobenzenes Aralkylamines Aryl chlorides Beta-amino ketones N-alkylpyrrolidines Trialkylamines Carbene-type 1,3-dipolar compounds Azacyclic compounds Organic transition metal salts Hydrocarbon derivatives Organochlorides Organosulfur compounds Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
Phenyltropane - Phenylpiperidine - Alpha-amino acid or derivatives - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Piperidine - N-alkylpyrrolidine - Benzenoid - Aryl halide - Beta-aminoketone - Monocyclic benzene moiety - Pyrrolidine - Ketone - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organic transition metal salt - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carbene-type 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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