Compound Identification
SMILES
O=[99Tc+4].O=[99Tc+4].O=[99Tc+4].O=[99Tc+4].OC(=O)CN1CCCN(CC(O)=O)CCN(CCCN(CC(O)=O)CC1)C(=O)COC1=CC=C(C=C1)C1=C2C=CC(=N2)C(=C2[N-]C(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1[N-]2)C1=CC=C(OCC(=O)N2CCCN(CC(O)=O)CCN(CC(O)=O)CCCN(CC(O)=O)CC2)C=C1)C1=CC=C(OCC(=O)N2CCCN(CC(O)=O)CCN(CC(O)=O)CCCN(CC(O)=O)CC2)C=C1)C1=CC=C(OCC(=O)N2CCCN(CC(O)=O)CCN(CC(O)=O)CCCN(CC(O)=O)CC2)C=C1
InChIKey
InChIKey=JWUCCNPTWLHJEH-DBZCUWIQSA-L
Formula
C116H148N20O36Tc4
Mass
2794.181
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Porphyrins
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Porphyrins
Intermediate Tree Nodes
Not available
Direct Parent
Porphyrins
Alternative Parents
Alpha amino acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trialkylamines Amino acids Organic transition metal salts Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Porphyrin - Alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Amino acid - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic transition metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
External Descriptors
Not available