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 Number	108050-54-0
PubChem CID	5282521
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 Formula	C46H80N2O13
Molecular Weight	869.1
XLogP	3.6
Topological Polar Surface Area	186
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	12
Heavy Atom Count	61
Formal Charge	0
Complexity	1420

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

CAS: 108050-54-0

CID: 5282521

Formula: C46H80N2O13

MW: 869.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	869.1
XLogP3	3.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	12
Exact Mass	868.56604061
Monoisotopic Mass	868.56604061
Topological Polar Surface Area	186 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1420
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B2049-5.1	Tilmicosin

Tilmicosin

Chemical Information

Alternative Products

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