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Clindamycin

View entire compound with spectra: 1 MS (GC)

Clindamycin
SpectraBase Compound ID DsVh5HTNxRM
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+/m0/s1
InChIKey KDLRVYVGXIQJDK-TUOWWPAASA-N
Mol Weight 425.0 g/mol
Molecular Formula C18H33ClN2O5S
Exact Mass 424.179871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8f2fQ4Ndf8a
Name Clindamycin
Alternate Name(s) Cleocin N-((1R)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide N-((1R)-2-chloro-1-((2RS,3RS,4SR,5RS,6RS)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+/m0/s1
InChIKey KDLRVYVGXIQJDK-TUOWWPAASA-N
Molecular Weight 424.984 g/mol
SMILES O[C@@]1([C@@]([C@]([C@](O[C@@]1(C(C(C)Cl)NC(C1N(CC(C1)CCC)C)=O)[H])(SC)[H])(O)[H])(O)[H])[H]
SPLASH splash10-004i-2900000000-23f66f19bc9414fdc393
Source of Spectrum SWG-33-1651-0
Wiley ID 1809299