Tylosin tartrate

C₅₀H₈₃NO₂₃CAS 74610-55-21066.20 g/mol

Open in Covalent MOL file

Acetal Alcohol Aldehyde Alkene Carboxylic acid Ester Ether Ketone Lactone Tertiary amine

Properties

Molecular formula: C₅₀H₈₃NO₂₃
Molar mass: 1066.20 g/mol
Exact mass: 1065.5356 Da
Melting point: 140–146 °C
logP: -0.29Crippen estimate
Polar surface area: 353.7 Å²
H-bond donors / acceptors: 9 / 22
Rotatable bonds: 16
Stereocentres: R, R, S, S, R, R, S, S, R, S, S, R, R, 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 reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

74610-55-2

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=C(O)[C@H](O)[C@@H](O)C(=O)O

InChIKey

ICVKYYINQHWDLM-KBEWXLTPSA-N

InChI

InChI=1S/C46H77NO17.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/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-;1-,2-/m11/s1

Weigh it out

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

Names and synonyms

7 names

Tylosin, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Tylosin, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
Tylosin, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)
Oxacyclohexadecane, tylosin deriv.
Pharmasin
Tylan injectable
Tylan soluble

Work with Tylosin tartrate

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.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Tylosin1401-69-0Free base Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt Choline bitartrate87-67-2Salt

Similar compounds

Tilmicosin108050-54-064 % similar Tilmicosin phosphate137330-13-360 % similar Tildipirosin328898-40-454 % similar Leucomycin1392-21-852 % similar Spiramycin adipate68880-55-746 % similar Midecamycin A135457-80-846 % similar Spiramycin II24916-51-645 % similar Josamycin16846-24-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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