Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((1,2-dihydro-2-oxo-6-(1-propenyl)-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta(S*)))-
RN: 96593-30-5
InChIKey: AIIMPFLXEKBILU-OUBUBPDHSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-N4-O7-S.Na

Molecular Weight

  • 548.5495
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 96593-30-5

System Generated Number

  • 0096593305

Molecular Formulas

Molecular Formula

  • C25-H25-N4-O7-S.Na

Molecular Formula Fragments

  • C25-H25-N4-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H26N4O7S.Na/c1-4-5-13-8-11-15(19(31)26-13)20(32)27-16(12-6-9-14(30)10-7-12)21(33)28-17-22(34)29-18(24(35)36)25(2,3)37-23(17)29;/h4-11,16-18,23,30H,1-3H3,(H,26,31)(H,27,32)(H,28,33)(H,35,36);/q;+1/p-1/b5-4+;/t16?,17-,18-,23-;/m0./s1

InChIKey

AIIMPFLXEKBILU-OUBUBPDHSA-M

Smiles

N12[C@H]([C@H](C1=O)NC(=O)C(NC(=O)c1c(=O)[nH]c(cc1)/C=C/C)c1ccc(cc1)O)SC([C@@H]2C(=O)[O-])(C)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2350mg/kg (2350mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 372, 1985.