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Substance Name: Pyridinium, 4-((2-((3-((acetyloxy)methyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxoethyl)thio)-1-methyl-, hydroxide, inner salt, (6R-trans)-
RN: 34409-23-9
InChIKey: MVCWQSBQUMRYDD-RHSMWYFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N3-O6-S2

Molecular Weight

  • 437.495
 
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Names and Synonyms

Synonyms

  • BL-S 217
  • BRN 4167854

Systematic Name

  • Pyridinium, 4-((2-((3-((acetyloxy)methyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxoethyl)thio)-1-methyl-, hydroxide, inner salt, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 34409-23-9

System Generated Number

  • 0034409239

Structure Descriptors

InChI

1S/C18H19N3O6S2/c1-10(22)27-7-11-8-29-17-14(16(24)21(17)15(11)18(25)26)19-13(23)9-28-12-3-5-20(2)6-4-12/h3-6,14,17H,7-9H2,1-2H3,(H-,19,23,25,26)/t14-,17-/m1/s1

InChIKey

MVCWQSBQUMRYDD-RHSMWYFYSA-N

Smiles

c1cc(cc[n+]1C)SCC(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])COC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular > 4gm/kg (4000mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 1, Pg. 67, 1972.
mouse LD50 subcutaneous > 4gm/kg (4000mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 1, Pg. 67, 1972.