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Substance Name: Tetracycline guaiacolsulfonate
RN: 20228-26-6
UNII: 05T77P89WE
InChIKey: FNKGGRNGAXFRPG-FMZCEJRJSA-N

Molecular Formula

  • C22-H24-N2-O8.C7-H8-O5-S

Molecular Weight

  • 648.6388
 
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Names and Synonyms

Name of Substance

  • Tetracycline guaiacolsulfonate

Synonyms

  • EINECS 243-613-0
  • Guaiacolsulfonate de tetracycline
  • Guaiacolsulfonate de tetracycline [French]
  • UNII-05T77P89WE

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 20228-26-6

FDA UNII

  • 05T77P89WE

System Generated Number

  • 0020228266

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/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-12-7-4-5(13(9,10)11)2-3-6(7)8/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);2-4,8H,1H3,(H,9,10,11)/t9-,10-,15-,21+,22-;/m0./s1

InChIKey

FNKGGRNGAXFRPG-FMZCEJRJSA-N

Smiles

C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O.COc1cc(ccc1O)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4400mg/kg (4400mg/kg)   French Medicament Patent Document. Vol. #4883M,