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CHEBI:201416 - clindamycin hydrochloride monohydrate

Default Structure
ChEBI IDCHEBI:201416
ChEBI Nameclindamycin hydrochloride monohydrate
Stars
Last Modified24 March 2026
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H33ClN2O5S.HCl.H2O
Net Charge0
Average Mass479.467
Monoisotopic Mass478.16711
SMILESCl.O.[H][C@]1([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H33ClN2O5S.ClH.H2O/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);1H;1H2/t9-,10+,11-,12+,13-,14+,15+,16+,18+;;/m0../s1
InChIKeyKWMXKEGEOADCEQ-WNNJHRBUSA-N
ChEBI Ontology
Outgoing Relation(s)
clindamycin hydrochloride monohydrate (CHEBI:201416) is a S-glycosyl compound (CHEBI:35275)
IUPAC Name 
(2S,4R)-N-[2-chloro-1-[(3R,4S)-3,4,5-trihydroxy-6-methylsulanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
Manual XrefsDatabases
26563175ChemSpider
Registry NumbersSources
CAS:58207-19-5ChEBI