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Structure Information
Structure

Compound Identification

SMILES

NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1.CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12

InChIKey

InChIKey=GBNDFYODIQFLQS-FXFKJASFSA-N

Formula

C30H40ClN7O5S

Mass

646.2

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid lactones

Intermediate Tree Nodes

Not available

Direct Parent

Spironolactones and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Spironolactone - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Acylguanidine - Aminopyrazine - Cyclohexenone - Pyrazine - Gamma butyrolactone - Aryl halide - Aryl chloride - Imidolactam - Vinylogous amide - Oxolane - Heteroaromatic compound - Carboxylic acid ester - Lactone - Thiocarboxylic acid ester - Guanidine - Cyclic ketone - Ketone - Carbothioic s-ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Carboximidamide - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Primary amine - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as spironolactones and derivatives. These are steroid lactones with a structure based on the spironolactone skeleton.

External Descriptors

Not available

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