chempirical

Clindamycin phosphate

C18H34ClN2O8PSCAS 24729-96-2504.96 g/mol

Open in Covalent MOL file
ONHOSOPOOHOHOHHOClN
AlcoholAlkyl halideEtherPhosphateSulfideTertiary amine

Properties

Molecular formula
C18H34ClN2O8PS
Molar mass
504.96 g/mol
Exact mass
504.1462 Da
logP
1.35Crippen estimate
Polar surface area
152.3 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
9
Stereocentres
R, S, S, R, R, R, S, R, Sin SMILES atom order

Identifiers

CAS number
24729-96-2
SMILES
CCC[C@@H]1C[C@@H](C(O)=N[C@@H]([C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1
InChIKey
UFUVLHLTWXBHGZ-MGZQPHGTSA-N
InChI
InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/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

17 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-, 2-(dihydrogen phosphate)
  • Methyl 7-chloro-6,7,8-trideoxy-6-trans-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-α-D-galacto-octopyranoside 2-(dihydrogen phosphate)
  • 7(S)-Chloro-7-deoxylincomycin 2-phosphate
  • Cleocin phosphate
  • U 28508
  • Dalacin P
  • Dalacin T
  • Cleocin T
  • Clindets
  • NSC 618653
  • Clindesse
  • Clindagel
  • Clindac
  • Clinadac
  • L-Threo-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, 2-(dihydrogen phosphate), 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-, 2-(dihydrogen phosphate), (2S-trans)-
  • Clindamycin 2-phosphate

Work with Clindamycin phosphate

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

Clindamycin18323-44-978 % similar Clindamycin hydrochloride21462-39-575 % similar Clindamycin palmitate hydrochloride25507-04-467 % similar Lincomycin154-21-264 % similar Lincomycin hydrochloride859-18-761 % similar Lincomycin hydrochloride monohydrate7179-49-959 % similar

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

Elsewhere

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