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Substance Name: Clometocillin sodium salt
RN: 54530-86-8
UNII: 9N5QS4F3AF
InChIKey: VJOSJOPYZRNYSD-HUDLNOPTSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Cl2-N2-O5-S.Na

Molecular Weight

  • 455.2923
 
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Names and Synonyms

Results Name

  • Clometocillin sodium salt

Name of Substance

  • Clometacillin

Synonyms

  • 3,4-Dichloro-alpha-methoxybenzyl penicillin sodium
  • Clometacillin sodium
  • Clomethacillin sodium
  • Clomethocillin sodium
  • Clometocillin sodium
  • Penicillin 356 sodium
  • Rixapen sodium
  • UNII-9N5QS4F3AF

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-(3,4-dichlorophenyl)-2-methoxyacetamido)-3,3-dimethyl-7-oxo-, sodium salt

Registry Numbers

CAS Registry Number

  • 54530-86-8

FDA UNII

  • 9N5QS4F3AF

System Generated Number

  • 0054530868

Molecular Formulas

Molecular Formula

  • C17-H17-Cl2-N2-O5-S.Na

Molecular Formula Fragments

  • C17-H17-Cl2-N2-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H18Cl2N2O5S.Na/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7;/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25);/q;+1/p-1/t10-,11?,12+,15-;/m1./s1

InChIKey

VJOSJOPYZRNYSD-HUDLNOPTSA-M

Smiles

[Na+].COC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)[O-])c3ccc(Cl)c(Cl)c3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 711mg/kg (711mg/kg)   Antibiotics and Chemotherapy Vol. 12, Pg. 192, 1962.
mouse LD50 intravenous 468mg/kg (468mg/kg)   Antibiotics and Chemotherapy Vol. 12, Pg. 192, 1962.