Erythromycin thiocyanate

C38H68N2O13SCAS 7704-67-8793.02 g/mol

Open in Covalent MOL file
OOOOOHOOONHOOHOHOHONSH
AcetalAlcoholEsterEtherKetoneLactoneNitrileTertiary amineThiol

Properties

Molecular formula
C38H68N2O13S
Molar mass
793.02 g/mol
Exact mass
792.4442 Da
Melting point
166–167 °C
logP
2.18Crippen estimate
Polar surface area
217.7 Ų
H-bond donors / acceptors
6 / 16
Rotatable bonds
7
Stereocentres
R, R, S, R, R, S, S, S, R, S, R, S, R, R, R, R, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
7704-67-8
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(=O)[C@H](C)[C@@H](O)[C@]1(C)O.N#CS
InChIKey
WVRRTEYLDPNZHR-YZPBMOCRSA-N
InChI
InChI=1S/C37H67NO13.CHNS/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;2-1-3/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3H/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

9 names
  • Erythromycin, thiocyanate (salt)
  • Thiocyanic acid, compd. with erythromycin (1:1)
  • Oxacyclotetradecane, erythromycin deriv.
  • Gallimycin 10
  • Gallimycin 50
  • Erytrovet
  • Pro-gallimycin 10
  • Bactenix V 300
  • Erythrocin thiocyanate

Work with Erythromycin thiocyanate

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

Erythromycin114-07-891 % similar Clarithromycin81103-11-984 % similar Erythromycin stearate643-22-180 % similar Erythromycin A oxime13127-18-978 % similar Erythromycin A 11,12-carbonate55224-05-074 % similar Erythromycin ethyl succinate1264-62-674 % similar Erythromycin lactobionate3847-29-873 % similar 9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-972 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook