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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxybutyramido)-, compd. with dibenzylamine
RN: 102367-60-2
InChIKey: WWCQATIYNTWSSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N2-O5-S.x-C14-H15-N

Molecular Weight

  • 575.7263
 
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Names and Synonyms

Synonyms

  • Penicillin, (1-phenoxypropyl)-, dibenzylamine
  • Propicillin dibenzylamine
  • Propicillin dibenzylaminsalz
  • Propicillin dibenzylaminsalz [German]

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxybutyramido)-, compd. with dibenzylamine

Registry Numbers

CAS Registry Number

  • 102367-60-2

System Generated Number

  • 0102367602

Molecular Formulas

Molecular Formula

  • C18-H22-N2-O5-S.x-C14-H15-N

Molecular Formula Fragments

  • C14-H15-N
  • C18-H22-N2-O5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22N2O5S.C14H15N/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);1-10,15H,11-12H2

InChIKey

WWCQATIYNTWSSB-UHFFFAOYSA-N

Smiles

CCC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)Oc3ccccc3.c1ccc(cc1)CNCc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 751, 1962.
rat LD50 oral > 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 751, 1962.