chempirical

Roxithromycin

C41H76N2O15CAS 80214-83-1837.06 g/mol

Open in Covalent MOL file
OOOOOHOOONOHOHNOOOHOHO
AcetalAlcoholEsterEtherLactoneOximeTertiary amine

Properties

Molecular formula
C41H76N2O15
Molar mass
837.06 g/mol
Exact mass
836.5246 Da
Melting point
122–126 °C
logP
2.21Crippen estimate
Polar surface area
216.9 Ų
H-bond donors / acceptors
5 / 17
Rotatable bonds
13
Stereocentres
R, R, S, R, R, S, S, S, R, S, R, S, R, R, R, S, R, Sin SMILES atom order

Identifiers

CAS number
80214-83-1
SMILES
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(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey
RXZBMPWDPOLZGW-XMRMVWPWSA-N
InChI
InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1

Weigh it out

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

Names and synonyms

27 names · show all
  • Roxid
  • Erythromycin, 9-[O-[(2-methoxyethoxy)methyl]oxime], (9E)-
  • Oxacyclotetradecane, erythromycin deriv.
  • RU 28965
  • Rulid
  • Roxithromycin A
  • Surlid
  • Rotramin
  • Assoral
  • Claramid
  • Overal
  • Forilin
  • Rossitrol
  • RU 965
  • Brilid
  • Roxeptin
  • Roxxibid
  • Roxibest-A
  • Roxid-M
  • Roxacin
  • Xthrocin
  • Roxl 150
  • Roxo
  • Rulide
  • Biaxsig
  • Roxar
  • Roximycin

Work with Roxithromycin

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

Erythromycin A oxime13127-18-981 % similar Erythromycin114-07-877 % similar Dirithromycin62013-04-172 % similar Clarithromycin81103-11-972 % similar Erythromycin thiocyanate7704-67-871 % similar 9-Deoxo-9A-aza-9A-homoerythromycin A76801-85-969 % similar Azithromycin83905-01-569 % similar Erythromycin stearate643-22-169 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook