7-Epi-clindamycin

C₁₈H₃₃ClN₂O₅SCAS 16684-06-3424.98 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Amide Ether Sulfide Tertiary 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 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 7
Stereocentres: R, S, S, R, R, S, R, R, Rin SMILES atom order

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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