| SpectraBase Spectrum ID |
JGEEPPKtYBc |
| Name |
Clindamycine |
| CAS Registry Number |
18323-44-9 |
| Classification |
Pharmaceutical drug, antibiotic |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
424.179871040 u |
| Formula |
C18H33ClN2O5S |
| InChI |
InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1 |
| InChIKey |
KDLRVYVGXIQJDK-NOWPCOIGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
424.984 g/mol |
| Nominal Mass |
424 u |
| Quality |
997 |
| Retention Index |
3165 |
| SMILES |
O[C@]1([C@](O[C@@]([C@@]([C@@]1(O)[H])(O)[H])(C(NC([C@]1(N(C[C@@](C1)(CCC)[H])C)[H])=O)C(Cl)C)[H])(SC)[H])[H] |
| SPLASH |
splash10-004i-3900000000-1a67caba76da5c7350c6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl)propyl]-1-methyl-4-propyl-pyrrolidine-\r2-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032455 |
