Tylosin phosphate

C₄₆H₈₀NO₂₁PCAS 1405-53-41014.11 g/mol

Open in Covalent MOL file

Acetal Alcohol Aldehyde Alkene Ester Ether Ketone Lactone Phosphate Tertiary amine

Properties

Molecular formula: C₄₆H₈₀NO₂₁P
Molar mass: 1014.11 g/mol
Exact mass: 1013.4960 Da
logP: 0.90Crippen estimate
Polar surface area: 316.4 Å²
H-bond donors / acceptors: 8 / 19
Rotatable bonds: 13
Stereocentres: R, R, S, S, R, R, S, S, R, S, S, R, R, R, R, R, R, R, R, R, Rin SMILES atom order
Double bonds: E, EE/Z, in SMILES order

Hazards

Danger

H317 May cause an allergic skin reaction71.4% of notifiers
H319 Causes serious eye irritation42.9% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled71.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects28.6% of notifiers
H413 May cause long lasting harmful effects to aquatic life14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1405-53-4

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]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)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.O=P(O)(O)O

InChIKey

NBOODGNJLRRJNA-IAGPQMRQSA-N

InChI

InChI=1S/C46H77NO17.H3O4P/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;1-5(2,3)4/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;(H3,1,2,3,4)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,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, phosphate (1:?)
Tylosin, phosphate (salt)
Oxacyclohexadecane, tylosin deriv.
Tylan 10 premix
Tylan 40 premix
Pharmasine TB
Tylan 100
Tylan
Tylan 10 plus
Hog grow-R-mix 4000
Hog grow-R-mix 800
Webel tylan premix

Work with Tylosin phosphate

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.

Tylosin1401-69-0Free base Tylosin tartrate74610-55-2Salt

Similar compounds

Tilmicosin phosphate137330-13-369 % similar Tilmicosin108050-54-064 % similar Tildipirosin328898-40-453 % similar Leucomycin1392-21-852 % similar Midecamycin A135457-80-846 % similar Spiramycin II24916-51-645 % similar Spiramycin adipate68880-55-745 % similar Leucomycin tartrate37280-56-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook