chempirical

Clarithromycin

C38H69NO13CAS 81103-11-9747.96 g/mol

Open in Covalent MOL file
OOOOOHOOONOHOOHOHO
AcetalAlcoholEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C38H69NO13
Molar mass
747.96 g/mol
Exact mass
747.4769 Da
Melting point
220 °C (decomposes)
logP
2.44Crippen estimate
Polar surface area
182.9 Ų
H-bond donors / acceptors
4 / 14
Rotatable bonds
8
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
81103-11-9
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)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey
AGOYDEPGAOXOCK-KCBOHYOISA-N
InChI
InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

Weigh it out

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

Names and synonyms

35 names · show all
  • Erythromycin, 6-O-methyl-
  • Oxacyclotetradecane, erythromycin deriv.
  • 6-O-Methylerythromycin
  • A 56268
  • Antibiotic TE 31
  • Antibiotic A 56268
  • 6-O-Methylerythromycin A
  • TE 031
  • Biaxin
  • Klacid
  • Fromilid
  • Kelamycin
  • Clamicin
  • Veclam
  • Klaricid
  • Naxy
  • Zeclar
  • Macladin
  • Clathromycin
  • Abbott 56268
  • Claris
  • Fascar
  • Crixan
  • Clarithro
  • Claric
  • BIAXIN XL
  • Clarith
  • Claritek
  • Klaribac
  • Klarithran MR
  • CRIXAN OD
  • Klarimix
  • Klabax
  • Claridar
  • CLARIPEN

Work with Clarithromycin

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

Erythromycin114-07-892 % similar Erythromycin thiocyanate7704-67-884 % similar Erythromycin stearate643-22-181 % similar (1Z,3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-10-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-6-ethyl-4,5-dihydroxy-3,5,9,11,13,15-hexamethyl-12-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one99290-97-880 % similar Erythromycin A oxime13127-18-979 % similar Erythromycin A 11,12-carbonate55224-05-075 % similar Erythromycin ethyl succinate1264-62-674 % similar 9-Deoxo-9A-aza-9A-homoerythromycin A76801-85-974 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook