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Tilmicosin

CAT: 0607-B2049-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B2049-50Size:50 mg
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Description
macrolide antibiotic
CAS Number
108050-54-0
Field of Research
Lab Reagents Antibiotics
Purity
0.98
Form
A solid
Solubility
insoluble in EtOH; insoluble in DMSO; ≥86.9 mg/mL in H2O with gentle warming
Smiles
CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC
Molecular Formula
C46H80N2O13
Molecular Weight
869.13
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Tilmicosin

Tilmicosin is a macrolide antibiotic with formula C46H80N2O13. It is used for the treatment of respiratory disease in cattle at high risk of developing bovine respiratory disease associated with Mannheimia haemolytica. It has a role as an antibacterial drug, a calcium channel blocker and a cardiotoxic agent. It is a macrolide antibiotic, an enone and a monosaccharide derivative.

CAS Number108050-54-0
PubChem CID5282521
IUPAC Name(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
Molecular FormulaC46H80N2O13
Molecular Weight869.1
XLogP3.6
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count61
Formal Charge0
Complexity1420
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)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
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
InChIKey
JTSDBFGMPLKDCD-XVFHVFLVSA-N
Chemical Structure
2D Structure
2D structure of Tilmicosin
CAS: 108050-54-0
CID: 5282521
Formula: C46H80N2O13
MW: 869.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight869.1
XLogP33.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass868.56604061
Monoisotopic Mass868.56604061
Topological Polar Surface Area186 Ų
Heavy Atom Count61
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T0777-01Tilmicosin

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