for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C2C=CC=C(C2=C(C3=C1CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)N)N(C)C)O)O |
|---|---|
| IUPAC Name | 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide |
| InChIKey | KTTKGQINVKPHLY-UHFFFAOYSA-N |
| INCHI | 1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30) |
| Molecular Weight | 426.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Tetracyclines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracyclines |
| Alternative Parents | Anthracenecarboxylic acids and derivatives Naphthols and derivatives Tetralins Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Cyclohexenones Vinylogous acids Tertiary alcohols Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Polyols Enols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Phenol - Aralkylamine - Benzenoid - Tertiary alcohol - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Polyol - Carboxylic acid derivative - Enol - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. |
| External Descriptors | Not available |
| Molecular Weight | 426.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 426.143 Da |
| Monoisotopic Mass | 426.143 Da |
| Topological Polar Surface Area | 161.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 855.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
