Compound Identification
SMILES
COCC(=O)NCCCCCC(C)(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)N([C@H]1CO[C@H]2OCC[C@@H]12)C([O-])=O)S(=O)(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=GPTLCIOAVFCPGW-FEGMTCTHSA-M
Formula
C36H50N3O11S
Mass
732.87
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
Amphetamines and derivatives Benzodioxoles Furofurans Organosulfonamides Aminosulfonyl compounds Oxolanes Secondary carboxylic acid amides Secondary alcohols Carbamic acids Dialkyl ethers Acetals Oxacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzodioxole - Furofuran - Organosulfonic acid amide - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carbamic acid - Carbamic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Acetal - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteropolycyclic 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