Tylosin tartrateProduct ingredient for Tylosin

Name

Tylosin tartrate

Drug Entry

Tylosin

Tylosin is a bacteriostatic macrolide antibiotic and feed additive used in veterinary medicine. It has a broad spectrum of activity against Gram-positive organisms and a limited range of Gram-negative organisms. Tylosin is produced as a fermentation product of Streptomyces fradiae.

See full entry for Tylosin

Accession Number

DBSALT001663

Structure

Similar Structures

Synonyms

Not Available

UNII

5P4625C51T

CAS Number

74610-55-2

Weight

Average: 1066.198
Monoisotopic: 1065.535587937

Chemical Formula

C₅₀H₈₃NO₂₃

InChI Key

ICVKYYINQHWDLM-KBEWXLTPSA-N

InChI

InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1

IUPAC Name

(2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.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]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC

External Links

ChemSpider: 21781851
ChEMBL: CHEMBL3189100

Predicted Properties

Property	Value	Source
Water Solubility	0.211 mg/mL	ALOGPS
logP	1.46	ALOGPS
logP	2.32	Chemaxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	12.45	Chemaxon
pKa (Strongest Basic)	8.43	Chemaxon
Physiological Charge	1	Chemaxon
Hydrogen Acceptor Count	17	Chemaxon
Hydrogen Donor Count	5	Chemaxon
Polar Surface Area	238.67 Å²	Chemaxon
Rotatable Bond Count	16	Chemaxon
Refractivity	232.21 m³·mol^-1	Chemaxon
Polarizability	97.58 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Tylosin tartrateProduct ingredient for Tylosin

Structure for Tylosin tartrate (DBSALT001663)