Salinomycin | CAS No. 53003-10-4

Salinomycin

Basic Information

CAS Number

53003-10-4

Molecular Formula

C42H70O11

Molecular Weight

751.01 g/mol

AD

Basic Physical Properties

Melting Point

112.5-113.5 ºC

Water Solubility

Soluble in methanol. Insoluble in water

Flash Point

>110°(230°F)

Specific Rotation

D25 -63° (c = 1 in ethanol)

CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O

InChI

InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1

InChIKey

KQXDHUJYNAXLNZ-XQSDOZFQSA-N

LogP

6.1880000000000095

pKa

6.4 (DMF)

Topological Polar Surface Area

161.21 Ų

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

1320

Safety Information

View Safety Information

Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 in mice (mg/kg): 18 i.p.; 50 orally (Miyazaki)

Synonyms & References

English

  • Salinomycin [INN:BAN]
  • K 364
  • Salinomycin (INN)
  • NS00007817
  • Salinomycinum (Latin)
  • NSC757437
  • J-524236
  • CHEBI:80025
  • Salinomycine (INN-French)
  • HY-15597
  • SALINOMYCIN [INN]
  • CS-1299
  • KQXDHUJYNAXLNZ-XQSDOZFQSA-N
  • Procoxacin (TN)
  • (alphaR,2R,5S,6R)-alpha-ethyl-6-((1S,2S,3S,5R)-5-((2S,5S,7R,9S,10S,12R,15R)-2-((2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxydispiro(4.1.5.3)-pentadec-13-en-9-yl)-2-hydroxy-1,3-dimethyl-4-oxoheptyl)-tetrahydro-5-methyl-2H-pyran-2-acetic acid
  • Salinomicina
  • D08502
  • Procoxacin
  • Q411909
  • Salinomycinum
  • EINECS 258-290-1
  • Salinomycin (from Streptomyces albus)
  • 53003-10-4
  • SR-05000002207-3
  • Salinomycine [INN-French]
  • SCHEMBL36890
  • Salinomicina [INN-Spanish]
  • GTPL11088
  • salinomycin
  • sodium 2-[6-[5-[3-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-5-methyl-tetrahydropyran-2-yl]butanoate
  • DTXSID4048486

MDL Number

MFCD25541652

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