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Substance Name: Viomycin 2,6-dimethoxyphenylpenicillinate
RN: 23284-16-4
InChIKey: JTPPJBDXFFIMEA-OCXPLYOESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H43-N13-O10.3C17-H20-N2-O6-S

Molecular Weight

  • 1826.95
 
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Names and Synonyms

Results Name

  • Viomycin 2,6-dimethoxyphenylpenicillinate

Synonym

  • Viomycin 2,6-dimethoxyphenylpenicillinate

Systematic Names

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,6-dimethoxybenzamido)-3,3-dimethyl-7-oxo-, compd. with viomycin (3:1)
  • Viomycin, tris(6-(2,6-dimethoxybenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate) (salt)

Registry Numbers

CAS Registry Number

  • 23284-16-4

System Generated Number

  • 0023284164

Molecular Formulas

Molecular Formula

  • C25-H43-N13-O10.3C17-H20-N2-O6-S

Molecular Formula Fragments

  • C17-H20-N2-O6-S
  • C25-H43-N13-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C25H43N13O10.3C17H20N2O6S/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43;3*1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48);3*5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/b13-7-;;;/t10-,11+,12-,14-,15-,17-,18-;3*11-,12+,15-/m0111/s1

InChIKey

JTPPJBDXFFIMEA-OCXPLYOESA-N

Smiles

N12C([C@H]([C@H]1SC(C)(C)[C@@H]2C(=O)O)NC(c1c(cccc1OC)OC)=O)=O.C1(=O)NC(\C(N[C@H](C(NC[C@H](NC(C[C@H](CCCN)N)=O)C(=O)N[C@H](C(=O)N[C@H]1CO)CO)=O)[C@H]1C[C@@H](N=C(N1)N)O)=O)=C\NC(=O)N.N12[C@@H](C(O)=O)C(C)(C)S[C@@H]2[C@@H](NC(c2c(cccc2OC)OC)=O)C1=O.N12[C@@H](C(O)=O)C(C)(C)S[C@@H]2[C@@H](NC(c2c(cccc2OC)OC)=O)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 650mg/kg (650mg/kg)   Acta Poloniae Pharmaceutica Vol. 26, Pg. 29, 1969.