α-Apooxytetracycline , CAS No.18695-01-7

CAS: 18695-01-7 Cat. No.: A1418683 Molecular Weight: 442.42 PubChem CID: 54710410

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

α-Apooxytetracycline is a degradation product of Oxytetracycline. Oxytetracycline is an antibiotic belonging to the tetracycline class.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC1=C2C=CC=C(C2=C(C3=C1C(OC3=O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C)O)O
• IUPAC Name: 4-(4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl)-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
• InChIKey: DRKMHDAKULCOKQ-UHFFFAOYSA-N
• INCHI: 1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)20(32-22(12)31)13-15(24(2)3)17(27)14(21(23)30)19(29)18(13)28/h4-6,13,15,18,20,25-28H,1-3H3,(H2,23,30)
• Isomeric SMILES: CC1=C2C=CC=C(C2=C(C3=C1C(OC3=O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C)O)O
• PubChem CID: 54710410
• Molecular Weight: 442.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthofurans
• Alternative Parents: Naphthols and derivatives Phthalides Benzofuranones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Cyclohexenones Vinylogous acids Trialkylamines Secondary alcohols Amino acids and derivatives Primary carboxylic acid amides Carboxylic acid esters Lactones Enols Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthofuran - 1-naphthol - Naphthalene - Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Cyclohexenone - Benzenoid - Vinylogous acid - Amino acid or derivatives - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Primary carboxylic acid amide - Lactone - Ketone - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Enol - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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