| SpectraBase Compound ID | 9swWkhskqqG |
|---|---|
| InChI | InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1 |
| InChIKey | DYKFCLLONBREIL-KVUCHLLUSA-N |
| Mol Weight | 457.48 g/mol |
| Molecular Formula | C23H27N3O7 |
| Exact Mass | 457.1849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8I5bVbX4cee |
|---|---|
| Name | Minocycline |
| CAS Registry Number | 10118-90-8 |
| Classification | Pharmaceutical drug, antibiotic |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 457.184900214 u |
| Formula | C23H27N3O7 |
| InChI | InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1 |
| InChIKey | DYKFCLLONBREIL-KVUCHLLUSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 457.483 g/mol |
| Nominal Mass | 457 u |
| Quality | 985 |
| Retention Index | 3669 |
| SMILES | OC=1C=CC(=C2C1C(C=1[C@](C[C@@]3([C@@](C(C(=C([C@]3(N(C)C)[H])O)C(=O)N)=O)(C1O)O)[H])(C2)[H])=O)N(C)C |
| SPLASH | splash10-0a4i-8668900000-caa0613e6ee765d7015b |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 6-Desmethyl-6-deoxy-7-dimethylaminotetracycline |
| Technique | GC/MS |
| Wiley ID | DD2024_014283 |