Clindamycin hydrochloride

C18H34Cl2N2O5SCAS 21462-39-5461.44 g/mol

Open in Covalent MOL file
ONHOSOHOHHOClNHCl
AlcoholAlkyl halideEtherSulfideTertiary amine

Properties

Molecular formula
C18H34Cl2N2O5S
Molar mass
461.44 g/mol
Exact mass
460.1565 Da
Melting point
144 °C
logP
1.65Crippen estimate
Polar surface area
105.8 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
7
Stereocentres
R, S, S, R, R, R, S, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 115 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
21462-39-5
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)Cl)N(C)C1.Cl
InChIKey
AUODDLQVRAJAJM-XJQDNNTCSA-N
InChI
InChI=1S/C18H33ClN2O5S.ClH/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);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1

Weigh it out

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

Names and synonyms

13 names · show all
  • L-Threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, hydrochloride (1:1)
  • L-Threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, monohydrochloride, (2S-trans)-
  • L-Threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, monohydrochloride, trans- α-
  • L-Threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, monohydrochloride
  • Clindomycin hydrochloride
  • 7(S)-Chloro-7-deoxylincomycin hydrochloride
  • Clindimycin hydrochloride
  • 7-Chloro-7-deoxylincomycin hydrochloride
  • Cleocin hydrochloride
  • Dalacina
  • Antirobe vet.
  • Clindavet
  • Clinacin

Work with Clindamycin hydrochloride

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.

Clindamycin18323-44-9Free base 7-Epi-clindamycin16684-06-3Free base, diastereomer

Similar compounds

Lincomycin hydrochloride859-18-782 % similar Lincomycin hydrochloride monohydrate7179-49-978 % similar Lincomycin154-21-277 % similar Clindamycin phosphate24729-96-275 % similar Clindamycin palmitate hydrochloride25507-04-475 % similar Clindamycin 2,4-diphosphate1309048-48-349 % similar Lincomycin ep impurity B37744-65-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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