Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.CCNC1=C(N=CC=C1)N1CCN(CC(=O)[C@H]2[C@H](C)CC3C4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@]23C)CC1

InChIKey

InChIKey=XNDQWPIMUDVRGY-PBTRDDGJSA-N

Formula

C37H48N4O6

Mass

644.813

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - Delta-1,4-steroid - Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Secondary aliphatic/aromatic amine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Fatty acyl - Piperazine - Pyridine - Fatty acid - Unsaturated fatty acid - Imidolactam - Alpha-aminoketone - Heteroaromatic compound - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid derivative - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

External Descriptors

Not available

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