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Substance Name: Tilmicosin [USAN:USP:INN:BAN]
RN: 108050-54-0
UNII: XL4103X2E3
InChIKey: JTSDBFGMPLKDCD-XVFHVFLVSA-N

Note

  • Semi-synthetic antibiotic.

Molecular Formula

  • C46-H80-N2-O13

Molecular Weight

  • 869.139
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antibacterial (Veterinary)
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Names and Synonyms

Name of Substance

  • Tilmicosin
  • Tilmicosin [USAN:USP:INN:BAN]

Synonyms

  • 4(sup A)-O-de(2,6-Dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(cis-3,5-dimethylpiperidino)tylosin
  • EL870
  • HSDB 7446
  • LY177370
  • Micotil
  • Micotil 300
  • Tilmicosin
  • Tilmicosina
  • Tilmicosina [INN-Spanish]
  • Tilmicosine
  • Tilmicosine [INN-French]
  • Tilmicosinum
  • Tilmicosinum [INN-Latin]
  • UNII-XL4103X2E3

Systematic Names

  • Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-, 20(cis)-
  • Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-((3R,5S)-3,5-dimethyl-1-piperidinyl)-
  • Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-

Registry Numbers

CAS Registry Number

  • 108050-54-0

FDA UNII

  • XL4103X2E3

System Generated Number

  • 0108050540

Structure Descriptors

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

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](CCN3C[C@@H](C)C[C@@H](C)C3)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)\C

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.18 (none) 25 EXP
log P (octanol-water) 3.8 (none)   EXP
Water Solubility 0.015 mg/L 25 EST
Vapor Pressure 4.63E-32 mm Hg 25 EST
Henry's Law Constant 8.23E-33 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.53E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.