chempirical

Erythromycin stearate

C55H103NO15CAS 643-22-11018.42 g/mol

Open in Covalent MOL file
OOHOOOOOHOOONOHOHOHOHO
AcetalAlcoholCarboxylic acidEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C55H103NO15
Molar mass
1018.42 g/mol
Exact mass
1017.7328 Da
logP
8.12Crippen estimate
Polar surface area
231.2 Ų
H-bond donors / acceptors
6 / 15
Rotatable bonds
23
Stereocentres
R, R, S, R, R, S, S, S, R, S, R, S, R, R, R, R, R, Sin SMILES atom order

Identifiers

CAS number
643-22-1
SMILES
CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey
YAVZHCFFUATPRK-YZPBMOCRSA-N
InChI
InChI=1S/C37H67NO13.C18H36O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1

Weigh it out

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

Names and synonyms

23 names · show all
  • Erythromycin, octadecanoate (1:1)
  • Erythromycin, stearate (salt)
  • Erythromycin, octadecanoate (salt)
  • Stearic acid, compd. with erythromycin (1:1)
  • Octadecanoic acid, compd. with erythromycin (1:1)
  • Oxacyclotetradecane, erythromycin deriv.
  • Erythromycin stearic acid salt
  • Gallimycin
  • OE 7
  • Abboticine
  • SK-Erythromycin
  • Meberyt
  • Ethryn
  • Eryprim
  • Wyamycin S
  • Eratrex
  • Bristamycin
  • Dowmycin E
  • Ethril
  • Wemid
  • Pfizer E
  • Erythro S
  • Erypar

Work with Erythromycin stearate

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

Erythromycin114-07-887 % similar Clarithromycin81103-11-981 % similar Erythromycin thiocyanate7704-67-880 % similar Erythromycin A oxime13127-18-975 % similar Erythromycin ethyl succinate1264-62-673 % similar Erythromycin lactobionate3847-29-872 % similar Erythromycin A 11,12-carbonate55224-05-071 % similar Erythromycin estolate3521-62-871 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook