Erythromycin stearate

C55H103NO15CAS 643-22-11018.42 g/mol

Open in Covalent MOL file
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AcetalAlcoholCarboxylic acidEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C55H103NO15
Molar mass
1018.42 g/mol
Exact mass
1017.7328 Da
Water solubility
< 1 g/L (22.2 °C)
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

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, P501

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

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.

Stearic acid57-11-4Free acid Erythromycin114-07-8Free base Zinc stearate557-05-1Salt Calcium stearate1592-23-0Salt Magnesium stearate557-04-0Salt Sodium stearate822-16-2Salt Lead stearate1072-35-1Salt Lithium stearate4485-12-5Salt Aluminium monostearate7047-84-9Salt Copper(II) stearate660-60-6Salt Potassium stearate593-29-3Salt Cadmium stearate2223-93-0Salt

Similar compounds

Clarithromycin81103-11-981 % similar Erythromycin thiocyanate7704-67-880 % similar Erythromycin A oxime13127-18-975 % similar Erythromycin ethyl succinate1264-62-673 % similar Erythromycin A 11,12-carbonate55224-05-071 % similar Erythromycin estolate3521-62-871 % similar 9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-970 % similar Azithromycin83905-01-570 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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