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Substance Name: Semduramicin sodium [USAN]
RN: 119068-77-8
UNII: 8B50X0IVEC
InChIKey: JXRFTGPGWGUBQB-LHOUOPCDSA-M

Classification Code

  • Coccidiostat

Molecular Formula

  • C45-H75-Na-O16

Molecular Weight

  • 895.0615
 
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Names and Synonyms

Name of Substance

  • Semduramicin sodium [USAN]

Synonyms

  • (3R,4S,5S,6R,7S,22S)-23,27-Didemethoxy-2,6,22-tridemethyl-5,11-di-O-demethyl-6-methoxy-22-(((2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)lonomycin A, monosodium salt
  • Lonomycin A, 23,27-didemethoxy-2,6,22-tridemethyl-5,11-di-O-demethyl-6-methoxy-22-((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-, monosodium salt, (3R,4S,5S,6R,7S,22S(2S,5S,6R))-
  • Semduramicin sodium
  • Sodium (2R,3S,4S,5R,6S)-tetrahydro-2,4-dihydroxy-6-((1R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2,8-dimethyl-2-((2R,5S)-tetrahydro-5-methyl-5-((2R,3S,5R)-tetrahydro-5-((2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl)-3-(((2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-2-furyl)-2-furyl)-1,6-dioxaspiro(4.5)dec-7-yl)ethyl)-5-methoxy-3-methyl-2H-pyran-2-acetate
  • UK-61,689-2
  • UK-61689-2
  • UNII-8B50X0IVEC

Systematic Name

  • Lonomycin A, 23,27-didemethoxy-2,6,22-tridemethyl-5,11-di-O-demethyl-6-methoxy-22-((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-, monosodium salt, (3R,4S,5S,5S,6R,7S,22S(2S,5S,6R))-;

Registry Numbers

CAS Registry Number

  • 119068-77-8

FDA UNII

  • 8B50X0IVEC

System Generated Number

  • 0119068778

Structure Descriptors

InChI

1S/C45H76O16.Na/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48;/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48);/q;+1/p-1/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+;/m0./s1

InChIKey

JXRFTGPGWGUBQB-LHOUOPCDSA-M

Smiles

[Na+].CO[C@H]1CC[C@H](O[C@H]2C[C@@H](O[C@H]2[C@]3(C)CC[C@@H](O3)[C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@H](O5)[C@@H](C)[C@@H]6O[C@](O)(CC(=O)[O-])[C@@H](C)[C@H](O)[C@H]6OC)O4)[C@H]7O[C@](C)(O)[C@H](C)C[C@@H]7C)O[C@@H]1C