for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
A Tetracycline analog used in antibiotic pharmaceutical compositions.
| Canonical Smiles | CN(C)C1C2CC3CC4=C(C(=C(C=C4)N)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O |
|---|---|
| IUPAC Name | (4S,4aS,5aR,12aR)-9-amino-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide |
| InChIKey | ZZLPMVKBERHMQN-CROFIWJMSA-N |
| INCHI | 1S/C21H23N3O7/c1-24(2)14-9-6-8-5-7-3-4-10(22)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(23)30/h3-4,8-9,14,25-26,29,31H,5-6,22H2,1-2H3,(H2,23,30)/t8-,9-,14-,21-/m0/s1 |
| Isomeric SMILES | CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=C(C=C4)N)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O |
| PubChem CID | 54688693 |
| Molecular Weight | 429.42 |
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 | Naphthols and derivatives Cyclohexenones Aralkylamines 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Tertiary alcohols Trialkylamines Cyclic alcohols and derivatives Polyols Enols Carboximidic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tetracycline - 1-naphthol - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Vinylogous acid - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Polyol - Enol - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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 |
| Solubility | Chloroform |
|---|---|
| Molecular Weight | 429.400 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 429.154 Da |
| Monoisotopic Mass | 429.154 Da |
| Topological Polar Surface Area | 187.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 926.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
