chempirical

Clindamycin

C18H33ClN2O5SCAS 18323-44-9424.98 g/mol

Open in Covalent MOL file
ONHOSOHOHHOClN
AlcoholAlkyl halideEtherSulfideTertiary amine

Properties

Molecular formula
C18H33ClN2O5S
Molar mass
424.98 g/mol
Exact mass
424.1799 Da
logP
1.23Crippen 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

Identifiers

CAS number
18323-44-9
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)Cl)N(C)C1
InChIKey
KDLRVYVGXIQJDK-AWPVFWJPSA-N
InChI
InChI=1S/C18H33ClN2O5S/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)/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

23 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-
  • 7-Chloro-7-deoxylincomycin
  • Clinimycin
  • 7-Chlorolincomycin
  • Cleocin
  • 7(S)-Chloro-7-deoxylincomycin
  • Sobelin
  • 7-Deoxy-7(S)-chlorolincomycin
  • 7-CDL
  • U 21251
  • Chlolincocin
  • Antirobe
  • Dalacine
  • Klimicin
  • ClindaDerm
  • Klindan 300
  • Dalacin V
  • Clincin
  • Clindam
  • L-Threo-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, trans- α-
  • L-Threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-
  • Methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-α-D-galacto-octopyranoside
  • Dalacin C

Work with Clindamycin

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

Clindamycin hydrochloride21462-39-595 % similar Lincomycin154-21-281 % similar Clindamycin phosphate24729-96-278 % similar Lincomycin hydrochloride859-18-777 % similar Lincomycin hydrochloride monohydrate7179-49-974 % similar Clindamycin palmitate hydrochloride25507-04-471 % similar Clindamycin 2,4-diphosphate1309048-48-351 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook