Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2.CN1C[C@H](CO)C[C@@]2(O)[C@H]1CC1=CNC3=CC=CC2=C13

InChIKey

InChIKey=RTALPYXMPWPJKY-GYPASOCYSA-N

Formula

C24H25F3N4O3S

Mass

506.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Clavines and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Clavines and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Clavine skeleton - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - Quinoline - 3-alkylindole - 1,3-benzothiazole - Indole - Indole or derivatives - Isoindole or derivatives - Phenol ether - Aralkylamine - 1,3-thiazol-2-amine - Piperidine - Benzenoid - Tertiary alcohol - Thiazole - Azole - Pyrrole - Heteroaromatic compound - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Trihalomethane - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Primary alcohol - Organohalogen compound - Primary amine - Hydrocarbon derivative - Halomethane - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Amine - Alkyl halide - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as clavines and derivatives. These are hydroxy and dehydro derivatives of 6,8-dimethylergolenes and the corresponding ergolines.

External Descriptors

Not available

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