Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C(=S)SSC(=S)N(CC)CC.COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C.CC1=NC(=CC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=N1)N1CCN(CCO)CC1

InChIKey

InChIKey=JZRFLDIGRZDHTN-WCFCKUKFSA-N

Formula

C52H70ClN11O4S5

Mass

1108.96

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Cinchona alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinchona alkaloids

Alternative Parents

Molecular Framework

Not available

Substituents

Cinchonan-skeleton - Aromatic anilide - 4-quinolinemethanol - N-arylpiperazine - Quinoline - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - Thiuram disulfide - Anisole - Quinuclidine - Dialkylarylamine - Phenol ether - Aralkylamine - Halobenzene - Chlorobenzene - Aminopyrimidine - N-alkylpiperazine - Alkyl aryl ether - 2,5-disubstituted 1,3-thiazole - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - 1,3-thiazol-2-amine - Piperazine - Piperidine - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Amino acid or derivatives - Organic disulfide - Organoheterocyclic compound - Ether - Alkanolamine - Azacycle - Secondary amine - Carboxylic acid derivative - Sulfenyl compound - Amine - Alcohol - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.

External Descriptors

Not available

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