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Tulathromycin A

CAT: 1596-AR-T03153-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T03153-02Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217500-96-4
Synonyms
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -13-[[2,6-Dideoxy-3-C-methyl-3-O-methyl-4-C-[ (propylamino) methyl]-?-L-ribo-hexopyranosyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3- (dimethylamino) -?-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one; Draxxin; Tulathromycin
Molecular Formula
C41H79N3O12
Molecular Weight
806.1
API Name
Tulathromycin

Chemical Information

Tulathromycin

Tulathromycin A is a macrolide antibiotic.

CAS Number217500-96-4
PubChem CID9832301
IUPAC Name(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC41H79N3O12
Molecular Weight806.1
XLogP3.8
Topological Polar Surface Area201
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count56
Formal Charge0
Complexity1240
SMILES
CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O
InChI
InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1
InChIKey
GUARTUJKFNAVIK-QPTWMBCESA-N
Chemical Structure
2D Structure
2D structure of Tulathromycin
CAS: 217500-96-4
CID: 9832301
Formula: C41H79N3O12
MW: 806.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight806.1
XLogP33.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass805.56637496
Monoisotopic Mass805.56637496
Topological Polar Surface Area201 Ų
Heavy Atom Count56
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T107-1GTulathromycin A

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