chempirical

Clindamycin palmitate hydrochloride

C34H64Cl2N2O6SCAS 25507-04-4699.85 g/mol

Open in Covalent MOL file
OOOHOHHNONClOSHCl
AlcoholAlkyl halideEsterEtherSulfideTertiary amine

Properties

Molecular formula
C34H64Cl2N2O6S
Molar mass
699.85 g/mol
Exact mass
698.3862 Da
logP
7.68Crippen estimate
Polar surface area
111.8 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
22
Stereocentres
R, S, R, R, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
25507-04-4
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](N=C(O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl
InChIKey
GTNDZRUWKHDICY-DJHAJVGHSA-N
InChI
InChI=1S/C34H63ClN2O6S.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4;/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41);1H/t24-,25+,26-,28+,29+,30-,31+,32+,34+;/m0./s1

Weigh it out

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

Names and synonyms

6 names
  • 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-hexadecanoate, monohydrochloride
  • L-Threo-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, 2-palmitate, monohydrochloride, 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-hexadecanoate, monohydrochloride, (2S-trans)-
  • Palmitic acid, 2-ester with methyl 7-chloro-6,7,8-trideoxy-6-(trans-1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-α-D-galacto-octopyranoside monohydrochloride
  • Clindamycin 2-palmitate hydrochloride
  • Cleocin pediatric

Work with Clindamycin palmitate 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

Similar compounds

Clindamycin hydrochloride21462-39-575 % similar Clindamycin18323-44-971 % similar Clindamycin phosphate24729-96-267 % similar Lincomycin hydrochloride859-18-762 % similar Lincomycin hydrochloride monohydrate7179-49-960 % similar Lincomycin154-21-258 % similar Clindamycin 2,4-diphosphate1309048-48-347 % similar Sepilift dphp41672-81-532 % similar

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

Elsewhere

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