Nafithromycin (CHEM133697)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 20:41:43 UTC | ||||||||
| Update Date | 2026-05-14 19:56:56 UTC | ||||||||
| Accession Number | CHEM133697 | ||||||||
| Identification | |||||||||
| Common Name | Nafithromycin | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C42H62N6O11S | ||||||||
| Average Molecular Mass | 859.050 g/mol | ||||||||
| Monoisotopic Mass | 858.420 g/mol | ||||||||
| CAS Registry Number | 1691240-78-4 | ||||||||
| IUPAC Name | (Z,3R,3aS,4R,6R,8R,9R,10R,12R,15R,15aS)-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-15-ethyl-8-methoxy-4,6,8,10,12,15a-hexamethyl-2,5,11,13-tetraoxo-N'-[(1S)-1-[5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethoxy]-tetradecahydro-2H-furo[2,3-c]oxacyclotetradecane-3-carboximidamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@]12[C@H](\C(N)=N\O[C@@H](C)C3=NN=C(S3)C3=CC=CC=N3)C(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@@H]2C)OC | ||||||||
| InChI Identifier | InChI=1S/C42H62N6O11S/c1-13-28-42(9)30(29(39(53)58-42)35(43)47-59-25(7)36-45-46-37(60-36)26-16-14-15-17-44-26)22(4)31(49)20(2)19-41(8,54-12)34(23(5)32(50)24(6)38(52)56-28)57-40-33(51)27(48(10)11)18-21(3)55-40/h14-17,20-25,27-30,33-34,40,51H,13,18-19H2,1-12H3,(H2,43,47)/t20-,21-,22-,23+,24-,25+,27+,28?,29-,30+,33-,34-,40+,41-,42-/m1/s1 | ||||||||
| InChI Key | RLFCSBSRGRJFRO-BRUOOUDCSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
