Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: C 2801X sodium salt
RN: 55511-84-7
InChIKey: JBWQJPNICCTFQU-JWGIKPAYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H28-N3-O12-S.Na

Molecular Weight

  • 617.5612
 
* 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

Results Name

  • C 2801X sodium salt

Synonyms

  • Antibiotic C 2801X sodium salt
  • C 2801X sodium salt
  • Takeda C 2801X sodium salt

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-3-(((3-(3,4-dihydroxyphenyl)-2-methoxy-1-oxo-2-propentyl)oxy)methyl)-7-methoxy-8-oxo-,monosodium salt, (6R-(6-alpha,7-alpha,7(R*)))-

Registry Numbers

CAS Registry Number

  • 55511-84-7

System Generated Number

  • 0055511847

Molecular Formulas

Molecular Formula

  • C25-H28-N3-O12-S.Na

Molecular Formula Fragments

  • C25-H28-N3-O12-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H29N3O12S.Na/c1-38-17(9-12-6-7-15(29)16(30)8-12)22(36)40-10-13-11-41-24-25(39-2,23(37)28(24)19(13)21(34)35)27-18(31)5-3-4-14(26)20(32)33;/h6-9,14,24,29-30H,3-5,10-11,26H2,1-2H3,(H,27,31)(H,32,33)(H,34,35);/q;+1/p-1/b17-9-;/t14?,24-,25+;/m1./s1

InChIKey

JBWQJPNICCTFQU-JWGIKPAYSA-M

Smiles

[Na+].CO\C(=C/c1ccc(O)c(O)c1)\C(=O)OCC2=C(N3[C@H](SC2)[C@@](NC(=O)CCCC(N)C(=O)O)(OC)C3=O)C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 400mg/kg (400mg/kg)   Journal of Antibiotics. Vol. 29, Pg. 113, 1976.