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

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
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

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.

Lincomycin hydrochloride859-18-7Anhydrous Lincomycin154-21-2Free base

Similar compounds

Clindamycin hydrochloride21462-39-578 % similar Clindamycin18323-44-974 % similar Clindamycin palmitate hydrochloride25507-04-460 % similar Clindamycin phosphate24729-96-259 % similar 7-Epi-clindamycin16684-06-352 % similar Clindamycin 2,4-diphosphate1309048-48-340 % similar Lincomycin ep impurity B37744-65-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook