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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((6-(4-(((1-acetyl-4-(formyloxy)-2-pyrrolidinyl)carbonyl)amino)phenyl)-1,2-dihydro-2-oxo-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta(S*(2R*,4S*))))-
RN: 76854-59-6
InChIKey: NOIJLTQRSHMWAV-VJBQYNBLSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H35-N6-O11-S.Na

Molecular Weight

  • 782.7595
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 76854-59-6

System Generated Number

  • 0076854596

Molecular Formulas

Molecular Formula

  • C36-H35-N6-O11-S.Na

Molecular Formula Fragments

  • C36-H35-N6-O11-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H36N6O11S.Na/c1-17(44)41-15-22(53-16-43)14-25(41)31(48)37-20-8-4-18(5-9-20)24-13-12-23(29(46)38-24)30(47)39-26(19-6-10-21(45)11-7-19)32(49)40-27-33(50)42-28(35(51)52)36(2,3)54-34(27)42;/h4-13,16,22,25-28,34,45H,14-15H2,1-3H3,(H,37,48)(H,38,46)(H,39,47)(H,40,49)(H,51,52);/q;+1/p-1/t22-,25?,26?,27-,28+,34+;/m1./s1

InChIKey

NOIJLTQRSHMWAV-VJBQYNBLSA-M

Smiles

CC(=O)N1C[C@@H](CC1C(=O)Nc2ccc(cc2)c3ccc(c(=O)[nH]3)C(=O)NC(c4ccc(cc4)O)C(=O)N[C@H]5[C@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)[O-])OC=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1860mg/kg (1860mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 862, 1981.