Roxithromycin

C41H76N2O15CAS 80214-83-1837.06 g/mol

Open in Covalent MOL file
OOOOOHOOONHOOHNOOOHOHO
AcetalAlcoholEsterEtherLactoneOximeTertiary amine

Properties

Molecular formula
C41H76N2O15
Molar mass
837.06 g/mol
Exact mass
836.5246 Da
Melting point
122–126 °C
pKa
9.27
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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