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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((1,2-dihydro-2-oxo-6-(4-(((5-oxo-2-pyrrolidinyl)carbonyl)amino)phenyl)-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta(S*(R*))))-
RN: 76899-86-0
InChIKey: JQPIHBIULXGVGQ-SMFNIGCISA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H31-N6-O9-S.Na

Molecular Weight

  • 710.6969
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((1,2-dihydro-2-oxo-6-(4-(((5-oxo-2-pyrrolidinyl)carbonyl)amino)phenyl)-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta(S*(R*))))-

Registry Numbers

CAS Registry Number

  • 76899-86-0

System Generated Number

  • 0076899860

Molecular Formulas

Molecular Formula

  • C33-H31-N6-O9-S.Na

Molecular Formula Fragments

  • C33-H31-N6-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H32N6O9S.Na/c1-33(2)25(32(47)48)39-30(46)24(31(39)49-33)38-29(45)23(16-5-9-18(40)10-6-16)37-27(43)19-11-12-20(36-26(19)42)15-3-7-17(8-4-15)34-28(44)21-13-14-22(41)35-21;/h3-12,21,23-25,31,40H,13-14H2,1-2H3,(H,34,44)(H,35,41)(H,36,42)(H,37,43)(H,38,45)(H,47,48);/q;+1/p-1/t21?,23?,24-,25+,31-;/m1./s1

InChIKey

JQPIHBIULXGVGQ-SMFNIGCISA-M

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccc(cc3)O)NC(=O)c4ccc([nH]c4=O)c5ccc(cc5)NC(=O)C6CCC(=O)N6)C(=O)[O-])C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 862, 1981.