Lincomycin ep impurity B
Properties
- Molecular formula
- C18H32N2O6S
- Molar mass
- 404.52 g/mol
- Exact mass
- 404.1981 Da
- logP
- -0.94Crippen estimate
- Polar surface area
- 122.5 Ų
- 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.
Identifiers
CAS number
37744-65-3SMILES
CCC=C1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)OInChIKey
UCVQMGJWVIGCAG-UHFFFAOYSA-NInChI
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)Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C18H33N2O6S 405.2054[M + Na]+
[M + Na]+ Calcd for C18H32N2NaO6S 427.1873[M − H]−
[M − H]− Calcd for C18H31N2O6S 403.1908Elemental analysis
Anal. Calcd for C18H32N2O6S: C, 53.45; H, 7.97; N, 6.93; S, 7.93.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Lincomycin ep impurity B
Similar compounds
Lincomycin154-21-262 % similar
Lincomycin hydrochloride859-18-759 % similar
Lincomycin hydrochloride monohydrate7179-49-957 % similar
7-Epi-clindamycin16684-06-350 % similar
Clindamycin18323-44-950 % similar
Clindamycin hydrochloride21462-39-548 % similar
Clindamycin phosphate24729-96-240 % similar
Clindamycin palmitate hydrochloride25507-04-438 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.