| SpectraBase Spectrum ID |
8G4C1xM3rSy |
| Name |
Chlortetracycline |
| CAS Registry Number |
57-62-5 |
| Classification |
Pharmaceutical drug, antibiotic |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
478.114293401 u |
| Formula |
C22H23ClN2O8 |
| InChI |
InChI=1S/C22H23ClN2O8/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)/t7-,8-,15-,21-,22-/m0/s1 |
| InChIKey |
CYDMQBQPVICBEU-XRNKAMNCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
478.885 g/mol |
| Nominal Mass |
478 u |
| Quality |
919 |
| SMILES |
NC(C1=C([C@]([C@]2([C@](C(=C3[C@@]([C@@](C=4C(C3=O)=C(C=CC4Cl)O)(O)C)(C2)[H])O)(C1=O)O)[H])(N(C)C)[H])O)=O |
| SPLASH |
splash10-05ai-6942200000-0f5bf5706a32b23074d8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(Amino-hydroxy-methylidene)-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-\r4,4a,5,5a-tetrahydrotetracene-1,3,12-trione |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000674 |
