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Substance Name: BLP 875
RN: 63504-05-2
InChIKey: TZAUXCYPIVIPFO-IRHHVTTKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N3-O4-S2.3H2-O

Molecular Weight

  • 339.3947
 
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Names and Synonyms

Results Name

  • BLP 875

Synonyms

  • 6-(R-alpha-Amino-3-thienylacetamido)penicillanic acid
  • BLP 875

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino-3-thienylacetyl)amino)-3-methylene-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, trihydrate

Registry Numbers

CAS Registry Number

  • 63504-05-2

System Generated Number

  • 0063504052

Molecular Formulas

Molecular Formula

  • C13-H13-N3-O4-S2.3H2-O

Molecular Formula Fragments

  • C13-H13-N3-O4-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H13N3O4S2/c1-5-9(13(19)20)16-11(18)8(12(16)22-5)15-10(17)7(14)6-2-3-21-4-6/h2-4,7-9,12H,1,14H2,(H,15,17)(H,19,20)/t7?,8-,9+,12-/m1/s1

InChIKey

TZAUXCYPIVIPFO-IRHHVTTKSA-N

Smiles

C=C1[C@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccsc3)N)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 7500mg/kg (7500mg/kg)   Journal of Antibiotics. Vol. 22, Pg. 1, 1969.