Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.N#CC(CCN1CCCC1)(CC1=CC=CC=C1)C1=CC=CS1
InChIKey
InChIKey=QGDMEVRYGCNBTP-UHFFFAOYSA-N
Formula
C25H30N2O7S
Mass
502.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Tricarboxylic acids and derivatives Aralkylamines N-alkylpyrrolidines Alpha hydroxy acids and derivatives Thiophenes Tertiary alcohols Heteroaromatic compounds Trialkylamines Nitriles Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Phenylbutylamine - Tricarboxylic acid or derivatives - Aralkylamine - Alpha-hydroxy acid - Hydroxy acid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary alcohol - Thiophene - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available