Lincomycin ep impurity B

C₁₈H₃₂N₂O₆SCAS 37744-65-3404.52 g/mol

Open in Covalent MOL file

Alcohol Alkene Amide Ether Sulfide Tertiary amine

Properties

Molecular formula: C₁₈H₃₂N₂O₆S
Molar mass: 404.52 g/mol
Exact mass: 404.1981 Da
logP: -0.94Crippen estimate
Polar surface area: 122.5 Å²
H-bond donors / acceptors: 5 / 8
Rotatable bonds: 6

Hazards

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

Identifiers

CAS number

37744-65-3

SMILES

CCC=C1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O

InChIKey

UCVQMGJWVIGCAG-UHFFFAOYSA-N

InChI

InChI=1S/C18H32N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h6,9,11-16,18,21-24H,5,7-8H2,1-4H3,(H,19,25)

Weigh it out

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

Work with Lincomycin ep impurity B

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

Similar compounds

7-Epi-clindamycin16684-06-350 % similar Lincomycin154-21-240 % similar Lincomycin hydrochloride859-18-738 % similar Clindamycin 2,4-diphosphate1309048-48-337 % similar Lincomycin hydrochloride monohydrate7179-49-937 % similar Clindamycin18323-44-934 % similar Clindamycin hydrochloride21462-39-533 % similar

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

Elsewhere

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