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Substance Name: Omadacycline tosylate [USAN]
RN: 1075240-43-5
UNII: 5658Y89YCD
InChIKey: SETFNHZTVGTBHC-XGLFQKEBSA-N

Classification Code

  • Antibiotic

Molecular Formula

  • C29-H40-N4-O7.C7-H8-O3-S

Molecular Weight

  • 728.8592
 
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Names and Synonyms

Name of Substance

  • Omadacycline tosylate [USAN]

Synonyms

  • Amadacyclin tosylate
  • Omadacycline tosylate
  • PTK 0796
  • PTK 0796 tosylate
  • UNII-5658Y89YCD

Systematic Names

  • (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-9-{((2,2-dimethylpropyl)amino)methyl}-3,10,12,12a- tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide mono(4-methybenzenesulfonate) (salt)
  • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-(((2,2-dimethylpropyl)amino)methyl)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a- tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-, 4-methylbenzenesulfonate (1:1)

Registry Numbers

CAS Registry Number

  • 1075240-43-5

FDA UNII

  • 5658Y89YCD

System Generated Number

  • 1075240435

Structure Descriptors

InChI

1S/C29H40N4O7.C7H8O3S/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34;1-6-2-4-7(5-3-6)11(8,9)10/h10,13,16,21,31,34,36-37,40H,8-9,11-12H2,1-7H3,(H2,30,39);2-5H,1H3,(H,8,9,10)/t13-,16-,21-,29-;/m0./s1

InChIKey

SETFNHZTVGTBHC-XGLFQKEBSA-N

Smiles

CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(CNCC(C)(C)C)c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C.Cc5ccc(cc5)S(=O)(=O)O