Tildipirosin

CAT: 0572-TRC-T440150-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-T440150-5MGSize:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

328898-40-4

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

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]([C@H]2O)N(C)C)[C@@H](CCN3CCCCC3)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CN4CCCCC4)\C

Molecular Formula

C41 H71 N3 O8

Molecular Weight

734.02

InChI

InChI=1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30-,31+,32-,34-,35-,37+,38-,39-,40-,41+/m1/s1

Additionnal Information

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-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-(2-piperidin-1-ylethyl)-15-(piperidin-1-ylmethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Tildipirosin

Tildipirosin is a veterinary antibiotic.

CAS Number	328898-40-4
PubChem CID	24860548
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-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-(2-piperidin-1-ylethyl)-15-(piperidin-1-ylmethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
Molecular Formula	C41H71N3O8
Molecular Weight	734.0
XLogP	4.3
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Heavy Atom Count	52
Formal Charge	0
Complexity	1170

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)CCN3CCCCC3)C)\C)CN4CCCCC4

InChI

InChIKey

HNDXPZPJZGTJLJ-UEJFNEDBSA-N

Chemical Structure

2D Structure

CAS: 328898-40-4

CID: 24860548

Formula: C41H71N3O8

MW: 734.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	734.0
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	733.52411623
Monoisotopic Mass	733.52411623
Topological Polar Surface Area	132 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
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
021863	Tildipirosin

Tildipirosin

Chemical Information

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