tin protoporphyrin IX - Moligand™ , CAS No.110020-43-4

CAS: 110020-43-4 Cat. No.: T614466 PubChem CID: 73755113

GRADE & PURITY Moligand™

Synonyms

Sn Protoporphyrin | tin(4+) ion 10,14-bis(2-carboxyethyl)-4,19-diethenyl-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene-21,22,23,24-tetraide | GTPL5279 | Sn-heme | Q270

Storage

Room temperature

Specifications

Synonyms

Sn Protoporphyrin | tin(4+) ion 10, 14-bis(2-carboxyethyl)-4, 19-diethenyl-5, 9, 15, 20-tetramethyl-21, 22, 23, 24-tetraazapentacyclo[16.2.1.1^{3, 6}.1^{8, 11}.1^{13, 16}]tetracosa-1(20), 2, 4, 6, 8, 10, 12, 14, 16, 18-decaene-21, 22, 23, 24-tetraide | GTPL5279 | Sn-heme | Q270

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: C=Cc1c2/C=c/3\[n-]c(=Cc4[n-]c(/C=c/5\[n-]/c(=C\c(c1C)[n-]2)/c(C=C)c5C)c(c4CCC(=O)O)C)c(c3C)CCC(=O)O.[Sn+4]
• IUPAC Name: tin(4+) ion 10,14-bis(2-carboxyethyl)-4,19-diethenyl-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene-21,22,23,24-tetraide
• InChIKey: VWEYNEFKXXWVHZ-IBPJAKCHSA-N
• INCHI: 1S/C34H32N4O4.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+4/b25-13-,26-13?,27-14?,28-15-,29-14-,30-15?,31-16?,32-16?
• Isomeric SMILES: CC\1=C(C2=CC3=C(C(=C([N-]3)/C=C\4/C(=C(/C(=C/C5=C(C(=C([N-]5)/C=C1\[N-]2)C=C)C)/[N-]4)C=C)C)C)CCC(=O)O)CCC(=O)O.[Sn+4]
• PubChem CID: 73755113

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrapyrroles and derivatives
      • Subclass Porphyrins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Substituted pyrroles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic tin salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Dicarboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic tin salt - Organic salt - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y