chempirical

Lincomycin hydrochloride monohydrate

C18H37ClN2O7SCAS 7179-49-9461.01 g/mol

Open in Covalent MOL file
ONHOSOHOHHOOHNHClH2O
AlcoholEtherSulfideTertiary amine

Properties

Molecular formula
C18H37ClN2O7S
Molar mass
461.01 g/mol
Exact mass
460.2010 Da
Melting point
145–147 °C
logP
-0.42Crippen estimate
Polar surface area
157.5 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
7
Stereocentres
R, S, R, R, R, R, S, R, Rin SMILES atom order

Identifiers

CAS number
7179-49-9
SMILES
CCC[C@@H]1C[C@@H](C(O)=N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)N(C)C1.Cl.O
InChIKey
LFZGYTBWUHCAKF-DCNJEFSFSA-N
InChI
InChI=1S/C18H34N2O6S.ClH.H2O/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;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/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

5 names
  • D-Erythro-α-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, hydrochloride, hydrate (1:1:1)
  • D-Erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, monohydrochloride, monohydrate, trans-α-
  • D-Erythro-α-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, monohydrochloride, monohydrate, (2S-trans)-
  • D-Erythro-α-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, monohydrochloride, monohydrate
  • Lincomycin hydrochloride hydrate

Work with Lincomycin hydrochloride monohydrate

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

Lincomycin hydrochloride859-18-795 % similar Lincomycin154-21-290 % similar Clindamycin hydrochloride21462-39-578 % similar Clindamycin18323-44-974 % similar Clindamycin palmitate hydrochloride25507-04-460 % similar Clindamycin phosphate24729-96-259 % similar Clindamycin 2,4-diphosphate1309048-48-340 % similar

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

Elsewhere

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