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Substance Name: Viomycin benzylpenicillinate
RN: 23405-54-1
InChIKey: GFKSIUITGQUOKJ-PJWINEPWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H42-N12-O9.3C16-H17-N2-O4-S

Molecular Weight

  • 1688.88
 
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Names and Synonyms

Results Name

  • Viomycin benzylpenicillinate

Synonym

  • Viomycin benzylpenicillinate

Systematic Name

  • Viomycin, tris(3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate) (salt)

Registry Numbers

CAS Registry Number

  • 23405-54-1

System Generated Number

  • 0023405541

Molecular Formulas

Molecular Formula

  • C22-H42-N12-O9.3C16-H17-N2-O4-S

Molecular Formula Fragments

  • C16-H17-N2-O4-S
  • C22-H42-N12-O9
  • COMPONENT

Structure Descriptors

InChI

1S/C25H43N13O10.3C16H18N2O4S/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*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/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*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/b13-7-;;;/t10-,11+,12-,14-,15-,17-,18-;3*11-,12+,14-/m0111/s1

InChIKey

GFKSIUITGQUOKJ-PJWINEPWSA-N

Smiles

N12C([C@H]([C@H]1SC(C)(C)[C@@H]2C(=O)O)NC(Cc1ccccc1)=O)=O.C1(=O)NC(\C(N[C@H](C(NC[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CO)CO)NC(=O)C[C@@H](N)CCCN)=O)[C@H]1C[C@@H](N=C(N)N1)O)=O)=C\NC(=O)N.N12[C@H](SC(C)(C)[C@@H]1C(=O)O)[C@@H](NC(Cc1ccccc1)=O)C2=O.N12[C@H](SC(C)(C)[C@@H]1C(=O)O)[C@@H](NC(Cc1ccccc1)=O)C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 385mg/kg (385mg/kg)   Acta Poloniae Pharmaceutica Vol. 25, Pg. 406, 1968.