4-epi-Chlortetracycline Hydrochloride
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| Category | Antibiotics |
| Catalog number | BBF-04356 |
| CAS | 101342-45-4 |
| Molecular Weight | 515.34 |
| Molecular Formula | C22H23ClN2O8.HCl |
| Purity | >95% by HPLC |
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Description
A degradation product of chlorotetracycline formed by acid-catalysed isomerisation of the dimethylamino group at C4. It exhibits little antibacterial activity.
Specification
| Related CAS | 14297-93-9 (free base) |
| Synonyms | 4-Epichlortetracycline hydrochloride; (4R,6S)-7-chloro-4-(dimethylamino)-1,4,4aS,5,5aS,6,11,12a-octahydro-3,6,10,12,12aS-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride; 7-chloro-2-Naphthacenecarboxamide hydrochloride |
| Storage | Store at -20°C under inert atmosphere |
| IUPAC Name | (4R,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride |
| Canonical SMILES | CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl |
| InChI | InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15+,21-,22-;/m0./s1 |
| InChI Key | CBHYYLPALVVVEY-QNUQNERCSA-N |
| Source | Semi-synthetic |
Properties
| Appearance | Pale Yellow to Dark Yellow Solid |
| Antibiotic Activity Spectrum | Bacteria |
| Melting Point | >178°C |
| Solubility | Soluble in Ethanol, Methanol, DMF, DMSO, Water |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
