Compound Identification
SMILES
CN1CC(C(O)=NC2(C)OC3(O)C4CCCN4C(=O)C(CC4=CC=CC=C4)N3C2=O)C(Cl)=C2C1CC1=CNC3=CC=CC2=C13
InChIKey
InChIKey=RCVKYOWZAKEWMO-UHFFFAOYSA-N
Formula
C33H34ClN5O5
Mass
616.12
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Alkaloids and derivatives
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Class
Ergoline and derivatives
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Subclass
Lysergic acids and derivatives
- Level 5 Ergopeptines
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Subclass
Lysergic acids and derivatives
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Class
Ergoline and derivatives
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Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Lysergic acids and derivatives
Intermediate Tree Nodes
Ergopeptines
Direct Parent
Ergotamines, dihydroergotamines, and derivatives
Alternative Parents
Lysergamides Indoloquinolines Benzoquinolines Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Aralkylamines N-alkylpiperazines Benzene and substituted derivatives Oxazolidinones Tertiary carboxylic acid amides Heteroaromatic compounds Pyrrolidines Pyrroles Orthocarboxylic acid derivatives Trialkylamines Lactams Oxacyclic compounds Chloroalkenes Carboximidic acids Vinyl chlorides Azacyclic compounds Alkanolamines Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ergotamine - Lysergic acid amide - Indoloquinoline - Benzoquinoline - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Oxazolidinone - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Oxazolidine - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Orthocarboxylic acid derivative - Lactam - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Organic 1,3-dipolar compound - Alkanolamine - Carboximidic acid - Carboximidic acid derivative - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Haloalkene - Chloroalkene - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergotamines, dihydroergotamines, and derivatives. These are organic compounds containing an ergotamine moiety, which is structurally characterized by a benzyl substituent attached to the piperazine ring of the ergopeptine backbone.
External Descriptors
Not available