Tilmicosin

C₄₆H₈₀N₂O₁₃CAS 108050-54-0869.15 g/mol

Open in Covalent MOL file

Acetal Alcohol Alkene Ester Ether Ketone Lactone Tertiary amine

Properties

Molecular formula: C₄₆H₈₀N₂O₁₃
Molar mass: 869.15 g/mol
Exact mass: 868.5660 Da
pKa: 8.18 (tertiary amine)
logP: 3.34Crippen estimate
Polar surface area: 186.2 Å²
H-bond donors / acceptors: 4 / 15
Rotatable bonds: 12
Stereocentres: R, R, S, S, R, R, S, S, R, R, R, S, R, R, R, R, R, R, Rin SMILES atom order
Double bonds: E, EE/Z, in SMILES order

Hazards

Danger

H302 Harmful if swallowed95% of notifiers
H317 May cause an allergic skin reaction93.3% of notifiers
H319 Causes serious eye irritation93.3% of notifiers
H332 Harmful if inhaled91.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled93.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure95% of notifiers
H410 Very toxic to aquatic life with long lasting effects95% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P501

Identifiers

CAS number

108050-54-0

SMILES

CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@H](C)C[C@H](C)C2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC

InChIKey

JTSDBFGMPLKDCD-XVFHVFLVSA-N

InChI

InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1

Weigh it out

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

Names and synonyms

12 names

Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-20-deoxo-20-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-
Oxacyclohexadecane, tylosin deriv.
4A-O-De(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-20-deoxo-20-[(3R,5S)-3,5-dimethyl-1-piperidinyl]tylosin
Antibiotic EL 870
LY 177370
EL 870
Micotil
Pulmotil
Micotil 300
Tylmicosine
Provitil
cis-Tilmicosin

Work with Tilmicosin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tilmicosin phosphate137330-13-3Salt

Similar compounds

Tildipirosin328898-40-477 % similar Tylosin1401-69-068 % similar Tylosin phosphate1405-53-464 % similar Tylosin tartrate74610-55-264 % similar Leucomycin1392-21-832 % similar Midecamycin A135457-80-831 % similar Leucomycin tartrate37280-56-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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