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Substance Name: Viomycin 3-o-chlorophenyl-5-methyl-4-isoxazolylpenicillinate
RN: 23284-15-3
InChIKey: PICVNUASSCFWIB-QWWPOZKNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H43-N13-O10.3C19-H18-Cl-N3-O5-S

Molecular Weight

  • 1993.35
 
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Names and Synonyms

Results Name

  • Viomycin 3-o-chlorophenyl-5-methyl-4-isoxazolylpenicillinate

Synonym

  • Viomycin 3-o-chlorophenyl-5-methyl-4-isoxazolylpenicillinate

Systematic Names

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3-3-dimethyl-7-oxo-, compd. with viomycin (3:1)
  • Viomycin, tris(6-(3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate) (salt)

Registry Numbers

CAS Registry Number

  • 23284-15-3

System Generated Number

  • 0023284153

Molecular Formulas

Molecular Formula

  • C25-H43-N13-O10.3C19-H18-Cl-N3-O5-S

Molecular Formula Fragments

  • C19-H18-Cl-N3-O5-S
  • C25-H43-N13-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C25H43N13O10.3C19H18ClN3O5S/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*1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/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*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/b13-7-;;;/t10-,11+,12-,14-,15-,17-,18-;3*13-,14+,17-/m0111/s1

InChIKey

PICVNUASSCFWIB-QWWPOZKNSA-N

Smiles

N12C([C@H]([C@H]1SC(C)(C)[C@@H]2C(=O)O)NC(c1c(onc1c1ccccc1Cl)C)=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](CO)C(=O)N[C@H]1CO)=O)[C@H]1C[C@@H](N=C(N1)N)O)=O)=C\NC(=O)N.N12[C@H](C(C)(C)S[C@@H]2[C@@H](NC(c2c(noc2C)c2ccccc2Cl)=O)C1=O)C(=O)O.N12[C@H](C(C)(C)S[C@@H]2[C@@H](NC(c2c(noc2C)c2ccccc2Cl)=O)C1=O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 570mg/kg (570mg/kg)   Acta Poloniae Pharmaceutica Vol. 26, Pg. 29, 1969.