7-Epi-clindamycin

C18H33ClN2O5SCAS 16684-06-3424.98 g/mol

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NONHOSOHOHOHCl
AlcoholAlkyl halideAmideEtherSulfideTertiary amine

Properties

Molecular formula
C18H33ClN2O5S
Molar mass
424.98 g/mol
Exact mass
424.1799 Da
logP
0.39Crippen estimate
Polar surface area
102.3 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
7
Stereocentres
R, S, S, R, R, S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
16684-06-3
SMILES
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl
InChIKey
KDLRVYVGXIQJDK-KIDUDLJLSA-N
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

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Names and synonyms

1 names
  • 7-Epiclindamycin

Work with 7-Epi-clindamycin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Clindamycin18323-44-9Diastereomer Clindamycin hydrochloride21462-39-5Salt, diastereomer

Similar compounds

Clindamycin 2,4-diphosphate1309048-48-374 % similar Lincomycin154-21-256 % similar Clindamycin phosphate24729-96-254 % similar Lincomycin hydrochloride859-18-754 % similar Lincomycin hydrochloride monohydrate7179-49-952 % similar Clindamycin palmitate hydrochloride25507-04-452 % similar Lincomycin ep impurity B37744-65-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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