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Substance Name: Thiacycline
RN: 59753-24-1
InChIKey: BHTSCECBAGLWDN-OZZRDPTJSA-N

Molecular Formula

  • C20-H20-N2-O7-S

Molecular Weight

  • 432.451
 
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Names and Synonyms

Name of Substance

  • Thiacycline

Synonyms

  • 6-Thiatetracycline
  • Emd 33330

Systematic Name

  • 10H-Benzo(b)thioxanthene-9-carboxamide, 7-(dimethylamino)-5a,b,6a,7,10a,12-hexahydro-1,8,10a,11-tetrahydroxy-10,12-dioxo-, (5aS-(5aalpha,6aalpha,7alpha,10aalpha))-

Registry Numbers

CAS Registry Number

  • 59753-24-1

System Generated Number

  • 0059753241

Structure Descriptors

InChI

1S/C20H20N2O7S/c1-22(2)14-7-6-10-12(15(24)11-8(23)4-3-5-9(11)30-10)17(26)20(7,29)18(27)13(16(14)25)19(21)28/h3-5,7,10,14,23,25-26,29H,6H2,1-2H3,(H2,21,28)/t7-,10-,14-,20-/m0/s1

InChIKey

BHTSCECBAGLWDN-OZZRDPTJSA-N

Smiles

CN(C)[C@H]1[C@@H]2C[C@H]3C(=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)C(=O)c4c(cccc4S3)O