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Substance Name: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(2-(1,4-dihydro-5-hydroxy-1-(2-methoxy-2-oxoethyl)-4-oxo-2-pyridinyl)ethenyl)-8-oxo-, disodium salt, (6R-(3(E),6-alpha,7-beta(Z)))-
RN: 127694-94-4
InChIKey: JLYMYOAVKKZHKN-QTRMKECNSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H24-N6-O11-S2.2Na

Molecular Weight

  • 706.6186
 
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Names and Synonyms

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(2-(1,4-dihydro-5-hydroxy-1-(2-methoxy-2-oxoethyl)-4-oxo-2-pyridinyl)ethenyl)-8-oxo-, disodium salt, (6R-(3(E),6-alpha,7-beta(Z)))-

Registry Numbers

CAS Registry Number

  • 127694-94-4

System Generated Number

  • 0127694944

Molecular Formulas

Molecular Formula

  • C26-H24-N6-O11-S2.2Na

Molecular Formula Fragments

  • C26-H24-N6-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H26N6O11S2.2Na/c1-26(2,24(40)41)43-30-17(13-10-45-25(27)28-13)20(36)29-18-21(37)32-19(23(38)39)11(9-44-22(18)32)4-5-12-6-14(33)15(34)7-31(12)8-16(35)42-3;;/h4-7,10,18,22,34H,8-9H2,1-3H3,(H2,27,28)(H,29,36)(H,38,39)(H,40,41);;/q;2*+1/p-2/b5-4+,30-17+;;/t18-,22-;;/m1../s1

InChIKey

JLYMYOAVKKZHKN-QTRMKECNSA-L

Smiles

CC(C)(C(=O)[O-])O/N=C(\c1csc(n1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/c4cc(=O)c(cn4CC(=O)OC)O)C(=O)[O-].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 1450, 1990.