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Tilmicosin

CAT: 1299-RM-T121900-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T121900-04Size:100 mg
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CAS Number
108050-54-0
Synonyms
20-Deoxo-20- (3,5-dimethyl-1-piperidinyl) desmycosin
Molecular Formula
C46H80N2O13
Molecular Weight
869.13
Target Alternative Name
Tilmicosin
Product Name Synonym
20-Deoxo-20- (3,5-dimethyl-1-piperidinyl) desmycosin

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
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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

Alternative Products

CatalogName
T0777-01Tilmicosin

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