Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzathine cefotaxime
RN: 127627-69-4
InChIKey: IILSVORLNYJFCF-KDBQXVQCSA-N

Molecular Formula

  • C16-H17-N5-O7-S2.1/2C16-H20-N2

Molecular Weight

  • 1151.2886
 
* 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

Name of Substance

  • Benzathine cefotaxime

Synonym

  • BCTX

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)

Registry Numbers

CAS Registry Number

  • 127627-69-4

System Generated Number

  • 0127627694

Molecular Formulas

Molecular Formula

  • C16-H17-N5-O7-S2.1/2C16-H20-N2

Molecular Formula Fragments

  • C16-H17-N5-O7-S2
  • C16-H20-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H17N5O7S2.C16H20N2/c2*1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);1-10,17-18H,11-14H2/b2*20-9-;/t2*10-,14-;/m00./s1

InChIKey

IILSVORLNYJFCF-KDBQXVQCSA-N

Smiles

CO\N=C(/C(=O)N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)\c3csc(N)n3.CO\N=C(/C(=O)N[C@@H]4[C@@H]5SCC(=C(N5C4=O)C(=O)O)COC(=O)C)\c6csc(N)n6.C(CNCc7ccccc7)NCc8ccccc8