Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Subclass

Porphyrins

Intermediate Tree Nodes

Not available

Direct Parent

Porphyrins

Alternative Parents

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

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