Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 260-282-8
RN: 56608-92-5
UNII: 6OTC606JGA
InChIKey: FDMODUJZMAVDCJ-CVHRZJFOSA-N

Molecular Formula

  • C22-H24-N2-O8.C7-H8-O5-S

Molecular Weight

  • 648.6388
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • EINECS 260-282-8

Name of Substance

  • Doxycycline 4-guaiacolsulfonate

Synonyms

  • EINECS 260-282-8
  • UNII-6OTC606JGA

Systematic Name

  • Benzenesulfonic acid, 4-hydroxy-3-methoxy-, compd. with (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)

Registry Numbers

CAS Registry Number

  • 56608-92-5

FDA UNII

  • 6OTC606JGA

System Generated Number

  • 0056608925

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O8.C7-H8-O5-S

Molecular Formula Fragments

  • C22-H24-N2-O8
  • C7-H8-O5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O8.C7H8O5S/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-12-7-4-5(13(9,10)11)2-3-6(7)8/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);2-4,8H,1H3,(H,9,10,11)/t7-,10+,14+,15-,17-,22-;/m0./s1

InChIKey

FDMODUJZMAVDCJ-CVHRZJFOSA-N

Smiles

C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O.COc1cc(ccc1O)S(=O)(=O)O