Tildipirosin

C41H71N3O8CAS 328898-40-4734.03 g/mol

Open in Covalent MOL file
OOOOHOOOHNHONN
AcetalAlcoholAlkeneEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C41H71N3O8
Molar mass
734.03 g/mol
Exact mass
733.5241 Da
logP
4.18Crippen estimate
Polar surface area
132.2 Ų
H-bond donors / acceptors
3 / 11
Rotatable bonds
9
Stereocentres
R, R, R, R, S, S, R, R, R, S, S, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P272, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
328898-40-4
SMILES
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3CCCCC3)C)\C)CN4CCCCC4
InChIKey
HNDXPZPJZGTJLJ-UEJFNEDBSA-N
InChI
InChI=1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30-,31+,32-,34-,35-,37+,38-,39-,40-,41+/m1/s1

Weigh it out

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

Work with Tildipirosin

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

Tilmicosin108050-54-077 % similar Tilmicosin phosphate137330-13-372 % similar Tylosin1401-69-056 % similar Tylosin tartrate74610-55-254 % similar Tylosin phosphate1405-53-453 % similar Midecamycin A135457-80-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook